67197-53-9 | 2-(2,6-Dibromophenyl)acetonitrile

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$10.00	$7.00
250mg	95%	in stock	$12.00	$9.00
1g	95%	in stock	$30.00	$21.00
5g	95%	in stock	$100.00	$70.00

Description

• Catalog Number: AH19528
• Chemical Name: 2-(2,6-Dibromophenyl)acetonitrile
• CAS Number: 67197-53-9
• Molecular Formula: C8H5Br2N
• Molecular Weight: 274.9400
• MDL Number: MFCD12196944
• SMILES: N#CCc1c(Br)cccc1Br

Upstream Synthesis Route

To synthesize 2-(2,6-Dibromophenyl)acetonitrile, a common precursor would be 2,6-dibromophenylacetic acid. The synthesis route can be outlined as follows:

1. **Starting Material**: Obtain or synthesize 2,6-dibromophenylacetic acid.
2. **Activation**: Convert 2,6-dibromophenylacetic acid into an acyl chloride by treating it with thionyl chloride (SOCl2) or oxalyl chloride in the presence of a catalytic amount of DMF (dimethylformamide) at reflux temperature.
3. **Nitrile Formation**: React the resulting 2,6-dibromophenylacetyl chloride with a suitable nitrile source. Copper(I) cyanide (CuCN) is often used for this reaction because it provides the cyanide anion in a form that is less prone to hydrolysis. This reaction typically takes place in a polar aprotic solvent, like acetonitrile itself or DMF.
4. **Purification**: The resultant nitrile can be purified by standard procedures, such as recrystallization or column chromatography, depending on the by-products formed during the synthesis.

Careful control of reaction conditions, such as temperature and stoichiometry of the reagents, is crucial to avoid side reactions, especially considering the reactive nature of the halogens in the compound. Furthermore, due to the toxicity and handling dangers of cyanide compounds, all reactions should be carried out with proper safety precautions and in a well-ventilated fume hood.