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Nucleophilic Substitution Reactions

A concise revision guide to the nucleophilic substitution reactions of haloalkanes with aqueous hydroxide, water with silver nitrate, ammonia and cyanide ions, their conditions and products, and the mechanism drawn with curly arrows.

Paper 2 and 3
4.2.2: Haloalkanes
H432/02 and H432/03
Dr. Mohammed Al-Fatah

Written by:
Dr. Mohammed Al-Fatah

Chemistry specialist revision notes for A Level Chemistry.

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1

The Mechanism with Hydroxide Ions

When a haloalkane is heated under reflux with aqueous potassium hydroxide (or sodium hydroxide), the halogen is replaced by an OH group and an alcohol forms: CH₃CH₂CH₂Br + OH⁻ → CH₃CH₂CH₂OH + Br⁻. The hydroxide ion acts as a nucleophile: it donates its lone pair to the δ+ carbon of the C–Br bond. The reaction is a nucleophilic substitution, and because water and hydroxide ions split the molecule it is also a hydrolysis.

The mechanism for a primary haloalkane is a single step. Two curly arrows are drawn: one from the lone pair on the oxygen of HO⁻ to the δ+ carbon, showing the new C–O bond forming, and one from the middle of the C–Br bond to the bromine, showing the bond breaking heterolytically so that bromine leaves as a bromide ion. The δ+ and δ− on the C–Br bond, the lone pair on the nucleophile and the negative charge on the leaving bromide ion must all be shown. The hydroxide attacks from the side opposite the halogen, and at the moment of substitution the carbon is briefly bonded to both groups in a transition state.

The nucleophilic substitution of 1-bromopropane by hydroxide ions with its curly arrows, and the four nucleophiles with their conditions and products.

Nucleophilic Substitution of Bromoethane by Hydroxide

Watch a hydroxide ion attack the δ+ carbon of bromoethane from behind, pass through a single transition state and push out the bromide ion, turning the carbon inside out.

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Carbon Hydrogen Bromine Oxygen Bond Partial bond Curly arrow Lone pair Reaction profile

© Dr. Mohammed Al-Fatah – onlinelearningsystem.net

Exam focus: Two arrows, two partial charges, one lone pair, one leaving group with its negative charge. Draw the arrow from the lone pair to the carbon, never from the carbon to the nucleophile.

Check your understanding

Check: The Substitution Mechanism

Draw and judge mechanisms for haloalkanes other than 1-bromopropane.

2

Water as the Nucleophile

Water is a much weaker nucleophile than the hydroxide ion, because it has no negative charge, but it hydrolyses haloalkanes slowly: CH₃CH₂Br + H₂O → CH₃CH₂OH + H⁺ + Br⁻. The reaction is used as the basis of the silver nitrate test: the haloalkane is warmed with aqueous silver nitrate dissolved in ethanol, and as the halide ion is released it reacts with silver ions to give a precipitate of the silver halide, Ag⁺(aq) + Br⁻(aq) → AgBr(s). Ethanol is the solvent because the haloalkane does not dissolve in water. The colour of the precipitate identifies the halogen (white AgCl, cream AgBr, yellow AgI) and the time taken for it to appear compares the rates of hydrolysis.

Key idea: Aqueous silver nitrate in ethanol: water is the nucleophile, the halide ion that leaves gives the precipitate.

3

Ammonia: Making Amines

Heating a haloalkane with ammonia dissolved in ethanol under pressure in a sealed tube gives a primary amine: CH₃CH₂CH₂Br + 2NH₃ → CH₃CH₂CH₂NH₂ + NH₄Br. The nitrogen lone pair of ammonia attacks the δ+ carbon exactly as the hydroxide ion did; the product at that stage is a positively charged ion, CH₃CH₂CH₂NH₃⁺, and a second ammonia molecule removes a proton from it to give the amine and an ammonium ion. That is why two molecules of ammonia appear in the equation.

The mechanism needs three arrows in two steps: lone pair on N to the carbon and C–Br bond to Br in the first step; then a lone pair on a second NH₃ to one of the N–H hydrogens and the N–H bond back onto the nitrogen in the second. The sealed tube keeps the volatile ammonia in the mixture, and an excess of ammonia is used because the amine formed is itself a nucleophile and would otherwise attack more haloalkane to give secondary and tertiary amines.

Exam wording: “Ethanolic ammonia, heated under pressure in a sealed tube, excess ammonia.” Products: the amine and ammonium bromide.

Check your understanding

Check: Ammonia and Amines

Write equations and conditions for amine preparations not used above.

4

Cyanide Ions: Making Nitriles and Lengthening the Chain

Heating a haloalkane under reflux with potassium cyanide dissolved in ethanol gives a nitrile: CH₃CH₂CH₂Br + CN⁻ → CH₃CH₂CH₂CN + Br⁻. The cyanide ion is a nucleophile through the lone pair on its carbon atom, and the mechanism is the same two-arrow substitution as with hydroxide. The important feature is that the carbon of the cyanide group is added to the chain, so the product has one more carbon atom than the starting compound: 1-bromopropane (three carbons) gives butanenitrile (four carbons, counting the nitrile carbon in the name). This is one of the few ways of lengthening a carbon chain in synthesis, and the nitrile can then be hydrolysed to a carboxylic acid or reduced to an amine.

Reagent and conditionsNucleophileProduct from 1-bromopropaneType of compound
KOH(aq), heat under refluxOH⁻CH₃CH₂CH₂OH, propan-1-olalcohol
H₂O with AgNO₃ in ethanol, warmH₂Opropan-1-ol slowly, AgBr precipitatealcohol
NH₃ in ethanol, heat under pressure, excess NH₃NH₃CH₃CH₂CH₂NH₂, propylamine (propan-1-amine)primary amine
KCN in ethanol, heat under refluxCN⁻CH₃CH₂CH₂CN, butanenitrilenitrile

Exam focus: Name nitriles from the whole chain including the CN carbon: butanenitrile, not propanenitrile, from a three-carbon bromoalkane.

Check your understanding

Check: Choosing the Nucleophile

Pick reagents and predict products for target molecules not made on this page.

5

Common Exam Points

Say

“The lone pair on the nucleophile forms a bond to the δ+ carbon while the C–X bond breaks heterolytically.” “Aqueous KOH, heat under reflux, substitution.” “KCN in ethanol adds one carbon to the chain.”

Do not say

“KOH in ethanol” for substitution (that gives elimination). “The bromine leaves as a bromine atom” (it leaves as a bromide ion).

Watch for

Draw the mechanism for hydroxide, cyanide and ammonia in the same way: the nucleophile changes, the arrows do not.

Check your understanding

Check: Substitution Round-up

Match reagents, conditions and products across nucleophilic substitutions of haloalkanes not seen above.

FAQs

Use these quick answers to check nucleophilic substitution.

Why is the reaction with KOH done in water rather than ethanol?

In water the hydroxide ion acts as a nucleophile and substitutes the halogen. In ethanol it acts as a base and an elimination reaction takes over.

Why are two molecules of ammonia needed?

The first attacks the carbon and forms an alkylammonium ion; the second removes a proton from it to leave the free amine and an ammonium ion.

Why does the cyanide reaction add a carbon to the chain?

The nucleophile is the carbon of the cyanide ion, so the CN carbon becomes part of the chain: 1-bromopropane (three carbons) gives butanenitrile (four carbons).

Why is silver nitrate used with water as the nucleophile?

Water hydrolyses the compound slowly and releases a halide ion; silver ions turn that halide ion into a precipitate, which makes the slow reaction visible and identifies the halogen.

Does the nucleophile attack from a particular side?

Yes, from the side opposite the halogen, where the δ+ carbon is least shielded; the C–X bond breaks as the new bond forms.

Copyright and author footprint: This OLS revision page was written for Online Learning System by Dr. Mohammed Al-Fatah. It is designed for A Level Chemistry revision and should not be copied or redistributed without permission.