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PCl3, PCl5 & SOCl2 Reagents | chemca

PCl3, PCl5 & SOCl2 Reagents | chemca
Reagents

PCl₃, PCl₅, and SOCl₂

The primary reagents for converting -OH groups to -Cl.

By chemca Team • Updated Jan 2026

Phosphorus halides ($PCl_3, PCl_5$) and Thionyl chloride ($SOCl_2$) are essential reagents in organic synthesis. They are primarily used to replace the hydroxyl group ($-OH$) in alcohols and carboxylic acids with a chlorine atom ($-Cl$).

1. Phosphorus Trichloride ($PCl_3$)

Reaction Stoichiometry

One molecule of $PCl_3$ reacts with three molecules of alcohol or acid. The byproduct is Phosphorous Acid ($H_3PO_3$).

A. With Alcohols:
$$ 3R-OH + PCl_3 \rightarrow 3R-Cl + H_3PO_3 $$
B. With Carboxylic Acids:
$$ 3R-COOH + PCl_3 \rightarrow 3R-COCl + H_3PO_3 $$

2. Phosphorus Pentachloride ($PCl_5$)

Vigorous Chlorination

$PCl_5$ reacts with alcohols, acids, and even carbonyl compounds. The main byproducts are Phosphoryl Chloride ($POCl_3$) and $HCl$.

A. With Alcohols:
$$ R-OH + PCl_5 \rightarrow R-Cl + POCl_3 + HCl $$
B. With Carboxylic Acids:
$$ R-COOH + PCl_5 \rightarrow R-COCl + POCl_3 + HCl $$
C. With Ketones/Aldehydes: Unlike $PCl_3$, $PCl_5$ reacts with carbonyl oxygen to form Gem-dichlorides.
$$ R-CO-R + PCl_5 \rightarrow \underset{\text{Gem-dichloride}}{R-CCl_2-R} + POCl_3 $$

3. Thionyl Chloride ($SOCl_2$)

Darzen's Process (Best Method)

$SOCl_2$ is preferred for preparing alkyl chlorides because the byproducts ($SO_2$ and $HCl$) are gases and escape, leaving pure product.

A. General Reaction:
$$ R-OH + SOCl_2 \xrightarrow{\Delta} R-Cl + SO_2 \uparrow + HCl \uparrow $$
Stereochemistry (Mechanism):
  • Without Pyridine ($S_Ni$): The reaction proceeds with Retention of Configuration (Internal Nucleophilic Substitution).
  • With Pyridine ($S_N2$): Pyridine neutralizes $HCl$, forming $Cl^-$ which attacks from the backside. This leads to Inversion of Configuration.
    $$ R-OH + SOCl_2 \xrightarrow{\text{Pyridine}} \text{Inverted } R-Cl $$

4. Quick Comparison

Reagent Substrate Ratio ($ROH : Reagent$) Byproducts State of Byproducts
$PCl_3$ $3 : 1$ $H_3PO_3$ Solid/Liquid (Non-volatile)
$PCl_5$ $1 : 1$ $POCl_3 + HCl$ Liquid + Gas
$SOCl_2$ $1 : 1$ $SO_2 + HCl$ Both Gases (Escape easily)

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