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Exam Master Review Sheet - Benzene

Exam Master Review Sheet - Benzene

CHEMCA

EXAM MASTER REVIEW SHEET

Aromatic Hydrocarbons: Benzene

Aromaticity, EAS Mechanisms & Directing Effects

1. Aromaticity & Structure

Benzene ($C_6H_6$) is a planar, cyclic conjugated system with exceptional stability.

Hückel's Rule

A compound is aromatic if it is Cyclic, Planar, Fully Conjugated, and has:

$(4n + 2) \pi \text{ electrons}$

($n = 0, 1, 2, \dots$ i.e., $2, 6, 10, 14 \dots$ electrons)

Bonding in Benzene

All $C-C$ bond lengths are identical ($139 \text{ pm}$), intermediate between single and double bonds.

Resonance Energy $\approx 36 \text{ kcal/mol}$

2. Methods of Preparation

Decarboxylation

Sodium Benzoate + Soda Lime ($NaOH + CaO$) / $\Delta$.
$\text{C}_6\text{H}_5\text{COONa} \xrightarrow{NaOH/CaO} \text{C}_6\text{H}_6 + \text{Na}_2\text{CO}_3$

Phenol Reduction

Phenol distilled with Zinc Dust.
$\text{C}_6\text{H}_5\text{OH} + \text{Zn} \xrightarrow{\Delta} \text{C}_6\text{H}_6 + \text{ZnO}$

3. Electrophilic Aromatic Substitution (EAS)

The most characteristic reaction of benzene. Proceed via Sigma Complex (Wheland Intermediate).

Reaction Reagents Electrophile ($E^+$)
Nitration Conc. $HNO_3$ + Conc. $H_2SO_4$ $NO_2^+$ (Nitronium ion)
Halogenation $Cl_2 + \text{Anhyd. } FeCl_3$ $Cl^+$ (Chloronium ion)
Friedel-Crafts Alkylation $R-Cl + \text{Anhyd. } AlCl_3$ $R^+$ (Carbocation - Rearranges!)
Friedel-Crafts Acylation $RCOCl + \text{Anhyd. } AlCl_3$ $R-C \equiv O^+$ (Acylium ion)

4. Directing Effects of Substituents

Ortho-Para Directing (Activating)

Groups that donate electrons ($+M$ or $+I$).

$-NH_2 > -OH > -OR > -NHCOCH_3 > -R$

*Halogens ($-Cl, -Br$) are O/P directing but Deactivating.*

Meta Directing (Deactivating)

Groups that withdraw electrons ($-M$ or $-I$).

$-NO_2 > -CN > -CHO > -COOH > -SO_3H$

5. Addition & Side Chain Reactions

Addition of Chlorine

Benzene + $3Cl_2$ in presence of UV Light/Sunlight.

Benzene Hexachloride (BHC) / Gammexane / 666

Birch Reduction

Reagent: $Na / \text{liq. } NH_3 + \text{Ethanol}$.

Benzene $\rightarrow$ 1,4-Cyclohexadiene (Non-conjugated).

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