79456-94-3

Basic information

• Product Name: Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-(4-bromophenyl)-
• CAS NO: 79456-94-3
• Molecular Formula: C12H9Br2N3O3
• Molecular Weight: 403.03
• Mol File: 79456-94-3.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-(4-bromophenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-(4-bromophenyl)-(79456-94-3)
• EPA Substance Registry System: Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-(4-bromophenyl)-(79456-94-3)

Safety Data

• Hazardous Substances Data: 79456-94-3(Hazardous Substances Data)

Upstream product

• 99-73-0 para-bromophenacyl bromide 
• 18874-52-7 5-bromo-2-methyl-4-nitro-1H-imidazole 
• 204444-55-3 4-bromo-1-(4-bromophenacyl)-2-methyl-5-nitroimidazole 
• 18874-52-7 4-bromo-2-methyl-5-nitroimidazole 
• 79456-89-6 1-(4-Bromo-phenyl)-2-(2-methyl-4-nitro-imidazol-1-yl)-ethanone 

Downstream Products

• 79456-99-8 3-(4-Bromo-phenyl)-6-methyl-8-nitro-1,4-dihydro-imidazo[5,1-c][1,2,4]triazine 
• 79457-07-1 3-(4-Bromo-phenyl)-6-methyl-8-nitro-1-(4-nitro-phenyl)-1,4-dihydro-imidazo[5,1-c][1,2,4]triazine 

Relevant articles and documents

Isomerization of 4-Bromo-2-methyl-5-nitro-1-phenacylimidazoles into 5-Bromo-2-methyl-4-nitro-1-phenacylimidazoles

4-Bromo-2-methyl-5-nitro-1-phenacylimidazoles (1a-e) dissolved in EtOH in presence of sodium bicarbonate (or without it) heated under reflux were isomerized into 5-bromo-2-methyl-4-nitro-1-phenacylimidazoles (5a-e). The structures of 5a-e were assigned using SFORD (Single Frequency Off Resonance Decoupling) and COLOC (Correlation Spectroscopy for Long Range Coupling) NMR techniques. A conceivable mechanism of isomerization is discussed. Wiley-VCH Verlag GmbH, 1999.

Synthesis of some 5-amino-2-methyl-4-nitro-1-phenacylimidazoles

Reaction of 4(5)-bromo-2-methyl-5(4)-nitroimidazole with phenacyl bromide derivatives gave two isomers: 4-bromo-5-nitroimidazoles (4a-e) and 5-bromo-4-nitroimidazoles (5a-e). Compounds 5a-e were treated with cyclic secondary amines to afford expected 5-amino-4-nitroimidazole derivatives 6a-c - 10a-b.