137046-51-6

Basic information

• Product Name: 7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline
• Synonyms: 7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline
• CAS NO: 137046-51-6
• Molecular Formula: C14H17 N7 O4
• Molecular Weight: 347.33
• Mol File: 137046-51-6.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline(CAS DataBase Reference)
• NIST Chemistry Reference: 7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline(137046-51-6)
• EPA Substance Registry System: 7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline(137046-51-6)

Safety Data

• Hazardous Substances Data: 137046-51-6(Hazardous Substances Data)

Upstream product

• 3485-82-3 theophylline sodium salt 
• 527-73-1 2-nitro-1H-imidazole 
• 59663-15-9 7-(4-chlorobutyl)theophylline 

Relevant articles and documents

An efficient procedure for the 1-alkylation of 2-nitroimidazoles and the synthesis of a probe for hypoxia in solid tumours

The N-alkylation of 2-nitroimidazole through its 'naked' anion, formed from its alkali metal salts in the presence of crown ethers and in homogeneous solution, is shown to be a useful preparative procedure. The reactions of α,ω-dihaloalkanes can be controlled to afford either the mono- or diheteroarylalkane. The procedure has been used to alkylate theophylline and to prepare a compound of use as a probe to identify, locate and quantify hypoxia in sections from solid tumours.