157671-45-9

Basic information

• Product Name: N-Methyl-N-(4-broMophenyl)aMinoacetonitrile
• Synonyms: N-Methyl-N-(4-broMophenyl)aMinoacetonitrile;2-((4-BroMophenyl)(Methyl)aMino)acetonitrile;2-(N-Methyl-4-bromoanilino)acetonitrile
• CAS NO: 157671-45-9
• Molecular Formula: C₉H₉BrN₂
• Molecular Weight: 225.08516
• Mol File: 157671-45-9.mol
• Article Data: 38

Chemical Properties

• Melting Point: 40℃
• Boiling Point: 205-206 °C
• Appearance: /
• Density: 1.466±0.06 g/cm3(Predicted)
• PKA: 0.83±0.50(Predicted)
• CAS DataBase Reference: N-Methyl-N-(4-broMophenyl)aMinoacetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: N-Methyl-N-(4-broMophenyl)aMinoacetonitrile(157671-45-9)
• EPA Substance Registry System: N-Methyl-N-(4-broMophenyl)aMinoacetonitrile(157671-45-9)

Safety Data

• Hazardous Substances Data: 157671-45-9(Hazardous Substances Data)

Upstream product

• 506-68-3 bromocyane 
• 36602-08-1 (N-methylanilino)acetonitrile 
• 773837-37-9 sodium cyanide 
• 586-77-6 4-bromo-N,N-dimethylaniline 
• 140-29-4 phenylacetonitrile 
• 7677-24-9 trimethylsilyl cyanide 
• 35452-54-1 4’-bromo-N-methylformanilide 
• 613-90-1 benzoyl cyanide 
• 372-09-8 cyanoacetic acid 
• 333-20-0 potassium thioacyanate 
• 623-49-4 ethyl cyanoformate 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 
• 50-00-0 formaldehyd 
• 28363-24-8 2-((4-bromophenyl)amino)acetonitrile 

Downstream Products

• 851199-50-3 C₉H₁₃BrN₂*ClH 
• 157671-32-4 (2E,4E)-2-(N-methyl-4-bromoanilino)-5-phenyl-2,4-pentadienenitrile 
• 586-77-6 4-bromo-N,N-dimethylaniline 
• 124-38-9 carbon dioxide 

Relevant articles and documents

An efficient aerobic oxidative cyanation of tertiary amines with sodium cyanide using vanadium based systems as catalysts

The first report on the use of vanadium-based catalysts for oxidative cyanation of tertiary amines with molecular oxygen in the presence of sodium cyanide and acetic acid to afford the corresponding α-aminonitriles in good to excellent yields is described

Acetone cyanohydrin: A convenient alternative of toxic sodium cyanide/acetic acid for oxidative cyanation of tertiary amines

Acetone cyanohydrin was found to be a facile, convenient and comparatively safer alternative to toxic sodium cyanide/acetic acid system for generating in situ HCN for the oxidative cyanation of tertiary amines to α-aminonitriles in high yields with hydrog

Nano cobalt-copper ferrite catalyzed regioselective α-C(sp3)–H cyanation of amines: Secondary, tertiary, and drug molecules

Oxidative cyanation of sp3C–H bonds at the α position of amines was achieved using CoCuFe2O4 as a catalyst and NaCN as an inexpensive cyanide source at room temperature. CoCuFe2O4 was found to be an active catalyst for Csp [3]-Csp coupling, efficiently delivering valuable α-aminonitriles from tertiary/secondary amines in good yields. The corresponding products were obtained with high selectivity toward α position. In addition, functional group tolerance offered the opportunity for application in late-stage functionalization of biologically active molecules. This transformation proceeds convenient on a gram-scale, and the catalyst can be reused for several runs with consistent catalytic activity.

New catalytic effect of thiourea on the oxidative cyanation of N-aryltetrahydroisoquinolines

Thiourea itself has been introduced as a mild and efficient organocatalyst for the oxidative α -cyanation of N-aryltetrahydroisoquinolines (THIQs) with trimethylsilyl cyanide (TMSCN), giving the corresponding products in good to excellent yields. Experime