2-Nitromethyl-1H-benzoimidazole

Base Information

• Chemical Name: 2-Nitromethyl-1H-benzoimidazole
• CAS No.: 57966-06-0
• Molecular Formula: C₈H₇N₃O₂
• Molecular Weight: 177.162
• European Community (EC) Number: 684-440-4
• Mol file: 57966-06-0.mol

Synonyms:2-Nitromethyl-1H-benzoimidazole;2-nitromethylbenzimidazole;Oprea1_079727;Oprea1_097196;SCHEMBL6991008;AKOS000638041

Chemical Property of 2-Nitromethyl-1H-benzoimidazole

Chemical Property:

• Melting Point: 160 °C
• PSA: 74.50000
• LogP: 1.86280
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

2-NITROMETHYL-1H-BENZOIMIDAZOLE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C[N+](=O)[O-]

Technology Process of 2-Nitromethyl-1H-benzoimidazole

There total 1 articles about 2-Nitromethyl-1H-benzoimidazole 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:

→ 2-nitromethylbenzimidazole (57966-06-0)

Guidance literature:

/BRN= 606074/, Cl2C=CHNO2;

DOI:10.1007/BF00474474

Reference yield: 60.0%

(2R,3R,4R)-3,4-bis(benzyloxy)-2-((benzyloxy)methyl)-3,4-dihydro-2H-pyran-5-carbaldehyde (136982-88-2) + 2-nitromethylbenzimidazole (57966-06-0) → 2-(1,2,4-tri-O-benzyl-D-lyxo-1,2,3,4-tetrahydroxybutyl)-4-nitrobenzo[4,5]imidazo[1,2-a]pyridine

Guidance literature:

With piperidine; acetic acid; In toluene; for 4h; Heating;

DOI:10.1055/s-2002-23543