1245556-14-2

Basic information

• Product Name: 3-(5-methyl-4-nitro-1H-imidazol-1-yl)propanenitrile
• CAS NO: 1245556-14-2
• Molecular Weight: 180.166
• Mol File: 1245556-14-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3-(5-methyl-4-nitro-1H-imidazol-1-yl)propanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(5-methyl-4-nitro-1H-imidazol-1-yl)propanenitrile(1245556-14-2)
• EPA Substance Registry System: 3-(5-methyl-4-nitro-1H-imidazol-1-yl)propanenitrile(1245556-14-2)

Safety Data

• Hazardous Substances Data: 1245556-14-2(Hazardous Substances Data)

Upstream product

• 107-13-1 acrylonitrile 
• 14003-66-8 5-methyl-4-nitro-1H-imidazole 

Downstream Products

• 1245556-15-3 3-[5-(bromomethyl)-4-nitro-1H-imidazol-1-yl]propanenitrile 

Relevant articles and documents

Synthesis of substituted 5-bromomethyl-4-nitroimidazoles and use for the preparation of the hypoxia-selective multikinase inhibitor SN29966

5-Bromomethyl-4-nitroimidazoles have utility as bioreductive trigger precursors for the preparation of hypoxia-selective prodrugs. Here we describe an efficient two-step synthesis of 5-(bromomethyl)-1-methyl-4-nitro-1H- imidazole, a preferred precursor, employing an N-bromosuccinimide mediated radical bromination. Use of this precursor to prepare SN29966, a promising hypoxia-selective irreversible pan-ErbB inhibitor is reported along with the preparation of four other prodrug candidates. 5-Bromomethyl-4-nitroimidazole analogues bearing electron-donating and electron-withdrawing substituents at the N-1 and C-2 positions are also described.