2-Cyanobenzyl bromide

CAS: 22115-41-9

Ref. 3D-FC46038

Product Information

• Name: 2-Cyanobenzyl bromide
• Synonyms: (2-Cyanophenyl)methyl bromide, 1-(Bromomethyl)-2-cyanobenzene, 2-(Bromomethyl)benzonitrile, 2-Cyanide Benzyl Bromide, 2-Cyano-α-bromotoluene, 2-Nitrilebenzyl bromide, Alpha-Bromo-O-Toluonitrile, Alpha-Bromo-Ortho-Tolunitrile, Benzonitrile, 2-(bromomethyl)-, O-Cyanobenzyl bromide, o-(Bromomethyl)benzonitrile, o-Tolunitrile, α-bromo-, α-Bromo-2-cyanotoluene, α-Bromo-o-tolunitrile, α-Bromo-o-toluonitrile

Description

2-Cyanobenzyl bromide is a chemical compound that belongs to the group of dpp-iv inhibitors. It is synthesized by reacting malonic acid with 2-bromoacetophenone in the presence of hydrochloric acid, pyrazole ring and palladium complexes as catalysts. The reaction mechanism is based on the nucleophilic substitution of chloride ion with bromide anion. The industrial preparation of this compound starts with the reaction of 2-cyanoacetic acid and chloroacetonitrile in n-dimethylformamide at room temperature, followed by the addition of hydrogen chloride or benzoate. This process leads to the formation of a mixture that can be separated into 2-cyanobenzyl chloride and acetonitrile.

• Brand: Biosynth

Chemical properties

• Molecular weight: 196.04 g/mol
• Formula: C₈H₆BrN
• Purity: Min. 95%
• InChI: InChI=1S/H3N/h1H3
• InChI key: InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
• SMILES: N#Cc1ccccc1CBr