1068162-79-7

Basic information

• Product Name: 2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile
• Synonyms: 2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile
• CAS NO: 1068162-79-7
• Molecular Formula: C₁₄H₆Cl₂N₂
• Molecular Weight: 273.11684
• Mol File: 1068162-79-7.mol
• Article Data: 1

Chemical Properties

• Melting Point: >300 °C (decomp)
• Boiling Point: 472.7±45.0 °C(Predicted)
• Appearance: /
• Density: 1.42±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile(1068162-79-7)
• EPA Substance Registry System: 2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile(1068162-79-7)

Safety Data

• Hazardous Substances Data: 1068162-79-7(Hazardous Substances Data)

Upstream product

• 154607-01-9 4-bromo-2-chlorobenzonitrile 
• 62673-31-8 benzyl(bromo)zinc 

Relevant articles and documents

An Enantioselective Hydrogenation of an Alkenoic Acid as a Key Step in the Synthesis of AZD2716

A classical resolution of a racemic carboxylic acid through salt formation and an asymmetric hydrogenation of an α,β-unsaturated carboxylic acid were investigated in parallel to prepare an enantiomerically pure alkanoic acid used as a key intermediate in the synthesis of an antiplaque candidate drug. After an extensive screening of rhodium- and ruthenium-based catalysts, we developed a rhodium-catalyzed hydrogenation that gave the alkanoic acid with 90% ee, and after a subsequent crystallization with (R)-1-phenylethanamine, the ee was enriched to 97%. The chiral acid was then used in sequential Negishi and Suzuki couplings followed by basic hydrolysis of a nitrile to an amide to give the active pharmaceutical ingredient in 22% overall yield.