Cambridge International AS & A Level Chemistry 9701 · A Level topic 33
Carboxylic acids and derivatives (A Level)
What this chapter covers33.1–33.3
Vinegar, the sting of an ant, the sourness of rhubarb and the preservative in many soft drinks are all due to carboxylic acids. The –COOH group makes these compounds acidic, but they are far weaker acids than hydrochloric acid, and far stronger than phenol or ethanol. Replace the –OH of the group with –Cl and the compound changes character completely: an acyl chloride fumes in moist air and reacts at room temperature with water, alcohols, phenols, ammonia and amines. Acyl chlorides are among the most useful reagents in organic synthesis, used to make esters that cannot be made directly and amides such as those in medicines.
This chapter builds on the AS work on carboxylic acids and esters in topic 19. It covers the preparation of benzoic acid, the two carboxylic acids that can be oxidised further, the conversion of acids into acyl chlorides, and a quantitative and structural account of why some acids are stronger than others. It ends with the reactions of acyl chlorides and the addition–elimination mechanism that all of them share.
What topic 33 asks you to do
33.1 Carboxylic acids — recall the production of benzoic acid from an alkylbenzene with hot alkaline KMnO4 and then dilute acid; describe the reaction of carboxylic acids with PCl3 and heat, PCl5 or SOCl2 to form acyl chlorides; recognise the oxidation of methanoic acid (Fehling's, Tollens', acidified KMnO4 or K2Cr2O7) and of ethanedioic acid (warm acidified KMnO4) to CO2; describe and explain the relative acidities of carboxylic acids, phenols and alcohols, and of chlorine-substituted carboxylic acids.
33.2 Esters — recall the formation of esters from alcohols (and phenols) with acyl chlorides, using ethyl ethanoate and phenyl benzoate.
33.3 Acyl chlorides — recall how they are made; describe their reactions at room temperature with water, alcohols, phenol, ammonia, and primary or secondary amines; describe the addition–elimination mechanism; explain the relative ease of hydrolysis of acyl, alkyl and aryl chlorides.
What you are assumed to know already
- Making carboxylic acids by oxidising primary alcohols and aldehydes; Tollens' and Fehling's tests (topics 17 and 18).
- Reactions of carboxylic acids with metals, bases and carbonates; esterification with alcohols (topic 19).
- Ka, pKa and the pH of weak acids (topic 26).
- Side-chain oxidation of alkylbenzenes (topic 30); the acidity of phenol (topic 32).
Making benzoic acid33.1.1
Any alkylbenzene can be converted into benzoic acid by oxidising its side chain. Methylbenzene is heated under reflux with potassium manganate(VII) in alkaline solution. The purple manganate(VII) is reduced (a brown precipitate of manganese(IV) oxide forms), and the methyl group is oxidised to a carboxyl group. Because the solution is alkaline, the product is present as the benzoate ion, C6H5COO−; adding dilute acid (for example dilute sulfuric acid) at the end protonates it, and benzoic acid, which is only sparingly soluble in cold water, separates as white crystals.
The ring itself is not oxidised: its delocalised π system is stable. Every alkyl side chain, whatever its length, is cut back to a single –COOH group on the ring, so ethylbenzene and propylbenzene also give benzoic acid, and a ring with two alkyl side chains gives a dicarboxylic acid (for example, 1,3-dimethylbenzene gives benzene-1,3-dicarboxylic acid).
Making acyl chlorides33.1.2, 33.3.1
An acyl chloride contains the group –COCl: the –OH of a carboxylic acid has been replaced by –Cl. Ethanoyl chloride, CH3COCl, is derived from ethanoic acid; benzoyl chloride, C6H5COCl, from benzoic acid. Acyl chlorides are named by replacing -oic acid with -oyl chloride. Three reagents make the conversion, and all of them must be used in the absence of water, because water reacts with the acyl chloride formed.
| reagent | conditions | equation | by-products |
|---|---|---|---|
| phosphorus(V) chloride, PCl5 | anhydrous; reacts without heating | RCOOH + PCl5 → RCOCl + POCl3 + HCl | POCl3 (liquid); HCl (steamy fumes) |
| phosphorus(III) chloride, PCl3 | anhydrous; heat | 3RCOOH + PCl3 → 3RCOCl + H3PO3 | H3PO3 |
| thionyl chloride (sulfur dichloride oxide), SOCl2 | anhydrous | RCOOH + SOCl2 → RCOCl + SO2 + HCl | SO2 and HCl, both gases |
With SOCl2 the gases escape from the mixture, leaving the acyl chloride, which can be purified by distillation; with PCl5 the liquid POCl3 has to be separated from it. Alcohols react with the same three reagents to give chloroalkanes (topic 16), so every –OH group in a molecule is replaced.
Count the –OH groups
Each –OH group in the molecule reacts with one PCl5 or SOCl2. A dicarboxylic acid needs two:
and an alcohol –OH in the same molecule is also replaced by –Cl:
Writing H2O as a product of the SOCl2 reaction is a common error: the oxygen and hydrogen leave as SO2 and HCl.
Carboxylic acids that can be oxidised33.1.3
The carbon of a –COOH group is already in a high oxidation state, so carboxylic acids are generally not oxidised by the usual laboratory oxidising agents — that is why oxidation of a primary alcohol stops at the acid. Two acids are exceptions, and each has a structural reason.
Methanoic acid
Methanoic acid, HCOOH, is the only carboxylic acid whose carboxyl carbon is bonded to hydrogen. The molecule therefore contains an H–C=O group, as an aldehyde does, and it behaves as a reducing agent in the same tests:
- warm with Tollens' reagent: a silver mirror forms;
- warm with Fehling's solution: the blue solution gives a brick-red precipitate of copper(I) oxide;
- warm with acidified KMnO4: the purple colour is removed; with acidified K2Cr2O7, orange turns green.
Ethanedioic acid
Ethanedioic acid (oxalic acid), HOOCCOOH, has no H–C=O group and does not react with Tollens' or Fehling's reagents. Its two carboxyl carbons are, however, bonded directly to each other, and warm acidified manganate(VII) oxidises it, breaking that C–C bond and releasing carbon dioxide. The purple solution is decolourised and bubbles of gas are seen:
Worked example 33.1 · Distinguishing three acids
| Problem | Samples of methanoic acid, ethanedioic acid and butanedioic acid are unlabelled. Describe two tests that identify all three. |
| Reasoning | All three are carboxylic acids of similar strength, so acid–base tests (carbonate, indicator) do not separate them. The difference lies in oxidation: only methanoic acid has H–C=O; methanoic and ethanedioic acids are both oxidised by warm acidified MnO4−; butanedioic acid is oxidised by neither reagent. |
| Answer | Test 1: warm with Tollens' reagent — a silver mirror with methanoic acid only (or Fehling's: red precipitate). Test 2: warm with acidified KMnO4 — decolourised by methanoic and ethanedioic acids, not by butanedioic acid. |
| Check | Each test needs the reagent, the condition (warm) and the observation. |
Quick check 33.1
- Give the reagents and conditions for converting methylbenzene into benzoic acid.
answer
Heat under reflux with alkaline KMnO4; then add dilute acid (e.g. dilute H2SO4). - Write the equation for the reaction of propanoic acid with PCl5.
answer
CH3CH2COOH + PCl5 → CH3CH2COCl + POCl3 + HCl - Why is it easier to obtain a pure acyl chloride using SOCl2 than using PCl5?
answer
Both by-products, SO2 and HCl, are gases and escape; PCl5 gives liquid POCl3, which must be separated. - Which of ethanoic, methanoic and ethanedioic acids react with Fehling's solution?
answer
Methanoic acid only. - Write the equation for the oxidation of ethanedioic acid, using [O].
answer
HOOCCOOH + [O] → 2CO2 + H2O
Examination questions on this part of the unit. Try each one on paper before opening the answer.
Answer and marking guidance
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Part (a) of the same question is 33B.4.
Answer and marking guidance
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Examiner's overall observation · Making acyl chlorides and oxidising carboxylic acids
Answered well: the structural formula of ethanoyl chloride; the by-products of PCl5 and SOCl2, and the advantage that SO2 and HCl are gases; the type of reaction, observations and equation for ethanedioic acid with acidified KMnO4.
Found difficult: which acids react with Fehling's reagent and with acidified manganate(VII) — these reactions of methanoic and ethanedioic acids were not well known, and many suggested reagents that react with none of the acids. Equations for dicarboxylic acids or hydroxy acids, where two molecules of PCl5 or SOCl2 are needed, were found very difficult.
Recurring errors: "ethyl chloride" or "chloroethanoic acid" as the name of CH3COCl; H2O rather than SO2 + HCl as products with SOCl2; leaving out acidic or alkaline, or heat, for KMnO4; HCl, or Cl2 with AlCl3, as the reagent for making an acyl chloride; aqueous conditions for making or using acyl chlorides; [H] in an equation described as oxidation.
What successful answers did: gave reagent, condition and observation for every test; balanced the chlorinating agent against every –OH group; and kept all water away from acyl chlorides.
Carboxylic acids, phenols and alcohols33.1.4
A Brønsted–Lowry acid donates a proton. For every compound in this section the proton comes from an O–H bond, and the equilibrium is of the same form:
The position of this equilibrium, measured by Ka or pKa (pKa = −log Ka; the smaller the pKa, the stronger the acid), depends on what X is. Two linked ideas explain every comparison:
- the O–H bond: a group X that withdraws electron density from the oxygen weakens and polarises the O–H bond, so H+ is released more easily; a group that donates electron density strengthens it;
- the anion (conjugate base): a group that spreads out the negative charge of X–O− stabilises the anion, so the equilibrium lies further to the right; a group that concentrates charge on the oxygen destabilises it.
Either explanation, applied correctly to each compound, earns credit; using both together gives the most complete answer.
Ethanoic acid and the carboxylate ion
In ethanoic acid the O–H group is attached to a carbonyl carbon. The C=O group is strongly electron-withdrawing (it has an electronegative oxygen atom and a polar double bond), so the O–H bond is weakened. When the proton is lost, the negative charge of the ethanoate ion is delocalised over the carbon and both oxygen atoms: a p orbital on each oxygen overlaps with the p orbital of the carbon, and the two C–O bonds become identical. The charge is shared by two electronegative atoms, which is a very effective way to stabilise it.
Phenol and the phenoxide ion
In phenol a lone pair on oxygen is delocalised into the ring. In the phenoxide ion the charge is spread over the oxygen and the ring carbons (chapter 32), stabilising the ion — but most of that charge is carried by carbon atoms, which are less electronegative than oxygen, so the stabilisation is smaller than in a carboxylate ion. Phenol (pKa about 10) is a much weaker acid than ethanoic acid.
Alcohols and the alkoxide ion
In ethanol the O–H is attached to an alkyl group, which is electron-donating (a positive inductive effect). This strengthens the O–H bond and increases the charge density on the oxygen of the ethoxide ion, destabilising it. Ethanol is a weaker acid even than water.
The order of acid strength is therefore:
The evidence: reactions with sodium, sodium hydroxide and sodium carbonate
The difference in strength is seen in the reactions of the three classes with sodium compounds. Only a carboxylic acid is a strong enough acid to release CO2 from a carbonate or hydrogencarbonate; phenol reacts with the strong base NaOH but not with carbonate; an alcohol reacts with neither.
| reagent | carboxylic acid, e.g. benzoic acid | phenol | alcohol, e.g. phenylmethanol |
|---|---|---|---|
| Na(s) | ✓ H2 given off | ✓ H2 given off | ✓ H2 given off |
| NaOH(aq) | ✓ salt + water | ✓ sodium phenoxide + water | ✗ |
| Na2CO3(aq) | ✓ effervescence of CO2 | ✗ | ✗ |
Phenylmethanol is an alcohol
C6H5CH2OH contains a benzene ring, but its –OH is on the CH2 group, not on the ring. The CH2 group is electron-donating, so phenylmethanol behaves as an alcohol: it reacts with sodium only. Describe the group as an alkyl or CH2 group, not a methyl group.
Chlorine-substituted carboxylic acids33.1.5
Replacing a hydrogen atom on the carbon next to the –COOH group with chlorine makes the acid much stronger. Chlorine is more electronegative than carbon and hydrogen, and it draws electron density towards itself along the chain of σ bonds (a negative inductive effect). Electron density is drawn away from the carboxyl group, so:
- the O–H bond is further weakened and polarised, and H+ is released more easily;
- the negative charge of the carboxylate ion is further spread out (its charge density is reduced), so the anion is more stable.
| acid | formula | pKa | comment |
|---|---|---|---|
| ethanoic acid | CH3COOH | 4.76 | reference acid |
| chloroethanoic acid | ClCH2COOH | 2.86 | Ka about 80 times larger |
| dichloroethanoic acid | Cl2CHCOOH | — | Ka almost 3000 times that of ethanoic acid |
| 2-chloropropanoic acid | CH3CHClCOOH | 2.80 | calculated in question 33B.9 |
Three rules follow, and all three are examined:
- More chlorine atoms, stronger acid. Cl3CCOOH > Cl2CHCOOH > ClCH2COOH > CH3COOH.
- Closer to –COOH, stronger acid. The inductive effect is transmitted through σ bonds and weakens rapidly with distance: 2-chloropropanoic acid > 3-chloropropanoic acid > propanoic acid.
- Electron-donating alkyl groups weaken an acid. A longer alkyl group has a slightly larger positive inductive effect, so ethanoic acid is stronger than butanoic acid. The effect is small compared with that of a chlorine atom.
Worked example 33.2 · Using pKa to compare two acids
| Given | pKa(CH3COOH) = 4.76; pKa(ClCH2COOH) = 2.86; each acid at 0.100 mol dm−3. |
| Required | The pH of each solution, and the ratio of their Ka values. |
| Relationship | Ka = 10−pKa; for a weak acid, [H+] = √(Ka × [HA]), assuming [HA] at equilibrium ≈ its initial concentration. |
| Substitution | ethanoic: Ka = 10−4.76 = 1.74 × 10−5; [H+] = √(1.74 × 10−6) = 1.32 × 10−3 mol dm−3 chloroethanoic: Ka = 10−2.86 = 1.38 × 10−3; [H+] = √(1.38 × 10−4) = 1.17 × 10−2 mol dm−3 |
| Answer | pH = 2.88 (ethanoic) and 1.93 (chloroethanoic). Ka ratio = 10(4.76 − 2.86) = 101.90 ≈ 79. |
| Check | A difference of 1.90 pKa units gives about half that difference in pH (0.95), as expected from the square root. For chloroethanoic acid about 12% of the acid is ionised, so the approximation is less good; the pH is a slight underestimate. |
Dicarboxylic acids: interpreting data
A dicarboxylic acid ionises in two stages, each with its own pKa. The data below come from an examination question, with ethanoic acid (pKa 4.76) for comparison.
| n | acid | pKa(1) | pKa(2) |
|---|---|---|---|
| 1 | propanedioic acid | 2.83 | 5.69 |
| 2 | butanedioic acid | 4.16 | 5.61 |
| 3 | pentanedioic acid | 4.31 | 5.41 |
The same ideas explain the pattern. Every pKa(1) is below 4.76 because the second –CO2H group is electron-withdrawing, like a chlorine atom; its effect, like that of chlorine, falls off as the number of CH2 groups between the two carboxyl groups increases. Every pKa(2) is above 4.76: the second proton has to be removed from an ion that is already negatively charged, and the –CO2− group already present repels further negative charge and is electron-donating, so the second ionisation is harder. As n increases, the two charges are further apart and pKa(2) approaches the ethanoic acid value.
Writing a full-credit comparison
Give the order first, then a separate reason for each compound in terms of a named group: its effect (electron-withdrawing or donating), what that does to the O–H bond or to the anion, and the link to H+ donation. "It contains an electronegative oxygen atom" earns nothing — every compound here contains oxygen. For a carboxylic acid, say which oxygen: the C=O, or the two oxygens of the carboxylate ion.
Quick check 33.2
- Put ethanol, ethanoic acid and phenol in order of increasing acid strength.
answer
ethanol < phenol < ethanoic acid. - Why is the ethanoate ion more stable than the phenoxide ion?
answer
Its negative charge is delocalised over two electronegative oxygen atoms; in phenoxide much of the charge is spread onto ring carbon atoms, which are less electronegative. - Which of benzoic acid, phenol and phenylmethanol react with Na2CO3(aq)?
answer
Benzoic acid only. - Explain why trichloroethanoic acid is stronger than ethanoic acid.
answer
Three electronegative Cl atoms withdraw electron density (−I effect), weakening the O–H bond and stabilising the anion by spreading its charge; the CH3 of ethanoic acid is electron-donating. - Which is the stronger acid, 2-chlorobutanoic acid or 4-chlorobutanoic acid? Explain.
answer
2-Chlorobutanoic acid: its Cl is closer to –COOH, and the inductive effect weakens with distance.
Examination questions on this part of the unit. Try each one on paper before opening the answer.
Part (c) of the same question is 33A.2 and part (d) is 33C.1.
Answer and marking guidance
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Parts (b) and (c) of the same question are 33A.3.
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Parts (d)(i)–(ii) and (e) of this question are in chapter 32.
Answer and marking guidance
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Examiner's overall observation · Relative acidities of carboxylic acids, phenols and alcohols
Answered well: the central idea that acidity is the ability to donate H+; the order of acidity in most comparisons; the link between chlorine's electronegativity and greater acidity; the calculation of pKa from pH and concentration.
Found difficult: explaining each position in the order. The effect of electron-donating groups (C2H5, CH2) and electron-withdrawing groups (Cl, C=O) on the strength of the O–H bond was not appreciated by all, and only a small number explained that a weakened O–H bond ionises more easily. Few explained that benzoic acid is more acidic than a phenol because the anion's charge is delocalised over two electronegative oxygen atoms. Linking a pH difference to acid strength was often left out.
Recurring errors: "the electronegative oxygen atom" as a reason; not saying which compound, or which of the two oxygens, is meant; describing phenylmethanol's group as methyl; "the OH group" when the O–H bond is meant; "harder or easier to break" rather than strengthened or weakened; vague "resonance" statements; ethanol more acidic than water; methylphenol more acidic than benzoic acid; forgetting that the carboxylate anion is stabilised; leaving boxes blank instead of marking no reaction with a cross; writing hydrolysis of the C–Cl bond instead of the acid dissociation equation.
What successful answers did: named the group, its inductive or delocalisation effect, its consequence for the O–H bond or the anion, and the resulting ease of H+ donation — for each compound in turn.
Why acyl chlorides are so reactive33.3.4
Open a bottle of ethanoyl chloride and white, steamy fumes appear at once: the liquid is reacting with water vapour in the air, releasing hydrogen chloride. The reactivity comes from the carbonyl carbon. It is bonded to two strongly electronegative atoms, oxygen and chlorine, both of which withdraw electron density from it. The carbon therefore carries a large δ+ charge and is readily attacked by any species with a lone pair — a nucleophile. Because the carbon is trigonal planar, the nucleophile can approach from above or below the plane without hindrance.
This explains the relative ease of hydrolysis met in chapter 31:
- Acyl chloride — carbon bonded to O and Cl, strongly δ+; hydrolysed rapidly by cold water.
- Alkyl chloride — carbon bonded to one electronegative atom only, and the alkyl group is electron-donating; hydrolysed only on heating with NaOH(aq).
- Aryl chloride — a lone pair of chlorine is delocalised into the ring, giving the C–Cl bond partial double-bond character; it is not hydrolysed.
The addition–elimination mechanism33.3.2, 33.3.3
All the reactions of acyl chlorides in this syllabus follow the same two-stage mechanism, called addition–elimination (or nucleophilic addition–elimination). Water is used as the example in Figure 33.6.
- Addition. A lone pair on the oxygen of a water molecule (the electron-rich site) is attracted to the δ+ carbonyl carbon (the electron-deficient site). A curly arrow from that lone pair to the carbon shows the new O–C bond forming. At the same time, one pair of electrons of the C=O double bond moves onto the oxygen — the arrow starts on the C=O bond and ends on O. The result is a tetrahedral intermediate, in which the carbon is bonded to four groups: CH3, O−, Cl and the oxygen of water, which now carries a positive charge.
- Elimination. A lone pair on the O− moves back to re-form the C=O double bond (arrow from the lone pair to the C–O bond), and the C–Cl bond breaks heterolytically, both electrons going to chlorine (arrow from the C–Cl bond to Cl). A chloride ion is eliminated.
- Loss of H+. The positively charged oxygen loses a proton, which combines with Cl−: the overall products are ethanoic acid and HCl.
Mechanism errors that lose marks
- No lone pair on the attacking O or N, or no lone pair on O− in the intermediate.
- No δ+/δ− dipole on C=O, or no curly arrow from the C=O bond to O.
- The first arrow drawn to the wrong atom (it must end on the carbonyl carbon).
- An intermediate with the wrong charges or with Cl already lost.
- Half-headed (fish-hook) arrows: these show single electrons and are wrong for this mechanism.
Reactions of acyl chlorides33.3.2
Every reaction takes place at room temperature and produces HCl. The nucleophile decides the product: an O–H compound gives an acid or an ester; an N–H compound gives an amide.
| reagent | equation | organic product | observations and notes |
|---|---|---|---|
| water | CH3COCl + H2O → CH3COOH + HCl | ethanoic acid | vigorous; steamy fumes of HCl |
| ethanol | CH3COCl + C2H5OH → CH3COOC2H5 + HCl | ethyl ethanoate | fast, not reversible |
| phenol | CH3COCl + C6H5OH → CH3COOC6H5 + HCl | phenyl ethanoate | phenol is usually first dissolved in NaOH(aq) |
| ammonia | CH3COCl + NH3 → CH3CONH2 + HCl | ethanamide | with excess NH3, the HCl forms NH4Cl |
| methylamine (primary) | CH3COCl + CH3NH2 → CH3CONHCH3 + HCl | N-methylethanamide | an N-substituted amide |
| dimethylamine (secondary) | CH3COCl + (CH3)2NH → CH3CON(CH3)2 + HCl | N,N-dimethylethanamide | the N–H hydrogen of the amine is replaced |
With nitrogen nucleophiles, the new bond is formed between the carbonyl carbon and nitrogen, and the amine loses one hydrogen from nitrogen. A primary amine RNH2 gives RCONHR′; a secondary amine gives RCONR′2, whose nitrogen carries no hydrogen. A tertiary amine has no N–H and cannot form an amide. Amides are neutral: the lone pair on nitrogen is delocalised onto the C=O group, so, unlike an amine, an amide is not basic (chapter 34).
Making esters, including esters of phenols33.2.1
At AS Level, esters were made by heating a carboxylic acid with an alcohol and concentrated sulfuric acid. That route is slow and reversible, and it does not work at all for phenols: the lone pair of the phenol oxygen is delocalised into the ring, which makes phenol too weak a nucleophile to attack a carboxylic acid. An acyl chloride is so much more reactive than the acid that it reacts with phenols too. The reaction is faster still when the phenol is first dissolved in sodium hydroxide solution, which converts it into the phenoxide ion, a much better nucleophile. The ester phenyl benzoate is made this way:
The ester is named from the phenol (phenyl) and the acyl chloride (benzoate). Similarly, ethyl ethanoate is made from ethanol and ethanoyl chloride.
Worked example 33.3 · A two-step ester synthesis
| Problem | Suggest a two-step route from benzoic acid and 4-methylphenol to the ester 4-methylphenyl benzoate. Give reagents, conditions and the intermediate. |
| Reasoning | A phenol cannot be esterified directly by the acid, so the acid must first be activated as its acyl chloride; the phenol is then converted to its more nucleophilic phenoxide. |
| Answer | Step 1: benzoic acid + SOCl2 (or PCl5, or PCl3 and heat) → benzoyl chloride, C6H5COCl. Step 2: dissolve 4-methylphenol in NaOH(aq) and shake with the benzoyl chloride at room temperature. |
| Check | Heating the acid and the phenol with concentrated H2SO4 — the most common wrong answer — gives no ester. |
Keeping the reagents dry
In any multi-step route that makes and then uses an acyl chloride, the acyl chloride must not meet water before it meets the intended nucleophile: water hydrolyses it back to the carboxylic acid. Reagents for making it are anhydrous; for making an amide the reagent is ammonia or the amine itself.
Quick check 33.3
- Write the equation for the reaction of propanoyl chloride with ammonia and name the product.
answer
CH3CH2COCl + NH3 → CH3CH2CONH2 + HCl; propanamide. - Name the product of benzoyl chloride and ethylamine.
answer
N-ethylbenzamide, C6H5CONHC2H5. - Why is phenyl ethanoate not made by heating phenol with ethanoic acid and sulfuric acid?
answer
Phenol is too weak a nucleophile (its O lone pair is delocalised into the ring); the more reactive acyl chloride is needed. - In the hydrolysis of ethanoyl chloride, where does the first curly arrow start and end?
answer
From a lone pair on the O of water to the δ+ carbonyl carbon. - Name the mechanism by which acyl chlorides react with nucleophiles.
answer
Addition–elimination.
Examination questions on this part of the unit. Try each one on paper before opening the answer.
Answer and marking guidance
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The same comparison is developed in chapter 31.
Answer and marking guidance
Examiner's overall observation · Acyl chlorides, their reactions and the addition–elimination mechanism
Answered well: the equation for ethanoyl chloride with methylamine; the acyl chloride as the first product of a two-step route and the reagent that makes it; the order of ease of hydrolysis of acyl, alkyl and aryl chlorides.
Found difficult: drawing the addition–elimination mechanism precisely, and naming it — the name was not well known. Explaining why an amine acts as a nucleophile needed the idea that its lone pair is donated, not merely present. Explaining the order of ease of hydrolysis needed the relative strengths of the C–Cl bonds as well as the trend. Skeletal structures of amides formed from secondary amines were found difficult.
Recurring errors: missing C=O dipoles, lone pairs or the arrow on the C=O bond; arrows to the wrong atom; wrong intermediates; single-headed arrows; a primary amide as the product with methylamine; leaving HCl out of equations; a wrong formula for ethanoyl chloride; esterifying a phenol by heating with the acid and concentrated sulfuric acid; not forming the phenoxide ion (phenol in NaOH) before adding the acyl chloride; water present when an acyl chloride is made or used.
What successful answers did: drew every arrow from a lone pair or a bond to an atom or a bond, showed the tetrahedral intermediate with both charges, and planned routes that activate the acid as an acyl chloride under dry conditions.
Misconceptions and how the topic is assessed33.1–33.3
| misconception | why it is wrong | correct model | examination consequence |
|---|---|---|---|
| All carboxylic acids are oxidised by acidified KMnO4. | –COOH is already highly oxidised. | Only methanoic acid (H–C=O) and ethanedioic acid (C–C between two COOH) are oxidised, to CO2. | Wrong tests; no credit for acid-strength tests. |
| SOCl2 gives water as a by-product. | O and H leave as SO2 and HCl. | RCOOH + SOCl2 → RCOCl + SO2 + HCl | Equation mark lost. |
| One PCl5 per molecule, whatever its structure. | Each –OH group reacts. | A diacid or hydroxy acid needs two. | Unbalanced equations. |
| "The electronegative oxygen" explains acidity. | Every compound compared contains oxygen. | Name the group: C=O, Cl (−I), alkyl (+I), ring delocalisation. | No explanation marks. |
| Ethanol is more acidic than water. | The ethyl group is electron-donating. | water > ethanol. | Order mark lost. |
| Phenols are esterified like alcohols, by heating with the acid. | Phenol is too weak a nucleophile. | Acyl chloride with phenol (in NaOH). | Route marks lost. |
| Acyl chlorides react by electrophilic or nucleophilic substitution. | The nucleophile first adds to C=O. | Addition–elimination via a tetrahedral intermediate. | Mechanism name and arrows lost. |
| question family | typical demand | what the answer needs |
|---|---|---|
| Making an acyl chloride | reagent; complete or write the equation; why SOCl2 is convenient | POCl3 + HCl, or SO2 + HCl; gaseous by-products; count –OH groups |
| Oxidation of acids | which acids react with Tollens', Fehling's or KMnO4; tests to distinguish | methanoic (all), ethanedioic (KMnO4 only); reagent + warm + observation |
| Relative acidity | order three or four compounds and explain, 3–4 marks | order; one reasoned statement per compound on the O–H bond or anion |
| pKa and pH | calculate Ka or pKa; explain a pH difference | [H+] = 10−pH; Ka = [H+]2/[HA]; link pH to acid strength |
| Acyl chloride reactions | products with water, alcohols, phenols, NH3, amines | correct product and HCl; room temperature |
| Mechanism | complete the addition–elimination mechanism, 4 marks | lone pair, dipole, two arrows, intermediate with charges, two arrows |
| Synthesis | two-step route to an ester of a phenol, or an amide | acid → acyl chloride (dry) → ester or amide |
Self-test33.1–33.3
Ten questions on the whole chapter. Each gives its reason once you answer.
Definitions to learn33.1–33.3
| term | definition |
|---|---|
| acyl chloride | a compound containing the –COCl group, RCOCl |
| Ka | the acid dissociation constant: for HA ⇌ H+ + A−, Ka = [H+][A−]/[HA] |
| pKa | −log10Ka; the smaller the pKa, the stronger the acid |
| inductive effect | the shift of electron density along σ bonds towards a more electronegative atom (−I, withdrawing) or away from an electron-donating group such as alkyl (+I) |
| nucleophile | a species that donates a lone pair of electrons to an electron-deficient atom, forming a new covalent bond |
| addition–elimination | a mechanism in which a nucleophile adds to a C=O carbon to form a tetrahedral intermediate, from which a small group (here Cl−) is then eliminated |
| amide | a compound containing the –CONH– group (or –CONH2, –CONR2) |
Summary
- Benzoic acid is made from methylbenzene (or any alkylbenzene) by heating with alkaline KMnO4, then adding dilute acid.
- Carboxylic acids give acyl chlorides with PCl5 (→ POCl3 + HCl), PCl3 and heat (→ H3PO3) or SOCl2 (→ SO2 + HCl), under anhydrous conditions.
- Methanoic acid is oxidised to CO2 and H2O by Tollens', Fehling's, acidified KMnO4 or acidified K2Cr2O7; ethanedioic acid is oxidised to CO2 by warm acidified KMnO4.
- Acid strength: carboxylic acid > phenol > water > alcohol. Carboxylate charge is delocalised over two O atoms; phenoxide charge over O and the ring; alkyl groups destabilise alkoxide ions.
- Only carboxylic acids release CO2 from carbonates; phenols react with NaOH but not carbonates; alcohols react with Na only.
- Electron-withdrawing Cl strengthens a carboxylic acid: more Cl, and Cl closer to –COOH, give a stronger acid.
- Acyl chlorides react at room temperature with water, alcohols, phenols, ammonia and primary or secondary amines to give acids, esters, amides and HCl, by addition–elimination.
- Esters of phenols (e.g. phenyl benzoate) are made from acyl chlorides, not from carboxylic acids.
Examination checklist
- Can I give reagents and conditions for making benzoic acid from methylbenzene?
- Can I write equations for making an acyl chloride with PCl5, PCl3 and SOCl2, including molecules with two –OH groups?
- Can I describe tests that distinguish methanoic, ethanedioic and other carboxylic acids?
- Can I order and explain the acidities of carboxylic acids, phenols, water and alcohols, and of chlorine-substituted acids?
- Can I calculate Ka and pKa from pH, and explain pH differences in terms of acid strength?
- Can I write equations for the reactions of acyl chlorides with water, alcohols, phenols, ammonia and amines, and name the products?
- Can I draw the addition–elimination mechanism with all lone pairs, dipoles, charges and curly arrows?
- Can I plan a two-step synthesis of an ester of a phenol or of an amide from a carboxylic acid?
Knowledge organiser
| idea | key facts | must-remember distinctions and common errors |
|---|---|---|
| Benzoic acid | alkylbenzene + hot alkaline KMnO4, then dilute acid | heat and acidify; ring not oxidised |
| Acyl chlorides | PCl5; PCl3 + heat; SOCl2; dry | by-products POCl3+HCl / H3PO3 / SO2+HCl; one reagent per –OH |
| Methanoic acid | Tollens' (silver mirror), Fehling's (red ppt), H+/MnO4−, H+/Cr2O72−; → CO2 + H2O | has H–C=O |
| Ethanedioic acid | warm H+/MnO4− → 2CO2; decolourised, bubbles | not Tollens' or Fehling's |
| Acidity order | RCOOH > ArOH > H2O > ROH; pKa 4.76 (ethanoic), ≈10 (phenol) | carbonate test: acids only |
| Cl-substituted acids | −I effect; more Cl, closer Cl → stronger; pKa(ClCH2COOH) 2.86 | explain via O–H bond or anion |
| Acyl chloride reactions | +H2O → acid; +ROH → ester; +ArOH → ester; +NH3 → amide; +RNH2/R2NH → substituted amide; all + HCl, rt | phenol in NaOH first; HCl always formed |
| Mechanism | addition–elimination; tetrahedral intermediate with O− | double-headed arrows; dipole on C=O |