7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline

Base Information

• Chemical Name: 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

Synonyms:NSC 656834

Chemical Property of 7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline

Chemical Property:

• Boiling Point: 665.2oC at 760 mmHg
• Flash Point: 356.1oC
• PSA: 125.46000
• Density: 1.55g/cm3
• LogP: 0.54200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline

There total 2 articles about 7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

2-nitro-1H-imidazole (527-73-1) + 7-(4-chlorobutyl)theophylline (59663-15-9) → 7-<4-(2-nitroimidazol-1-yl)butyl>theophylline (137046-51-6)

Guidance literature:

With sodium hydroxide; 15-crown-5; sodium iodide; 2) MeCN, reflux, 12 h;

DOI:10.1055/s-1991-26552

Reference yield:

theophylline sodium salt (3485-82-3) → 7-<4-(2-nitroimidazol-1-yl)butyl>theophylline (137046-51-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / 15-crown-5 / acetonitrile / 24 h / Heating

2: 94 percent / 1) NaOH, 2) 15-crown-5, NaI / 2) MeCN, reflux, 12 h

With sodium hydroxide; 15-crown-5; sodium iodide; In acetonitrile;

DOI:10.1055/s-1991-26552

upstream raw materials:

2-nitro-1H-imidazole

7-(4-chlorobutyl)theophylline

theophylline sodium salt