2-Benzyl-5-nitro-1H-benzimidazole

Base Information

• Chemical Name: 2-Benzyl-5-nitro-1H-benzimidazole
• CAS No.: 7189-72-2
• Molecular Formula: C14H11N3O2
• Molecular Weight: 253.26
• DSSTox Substance ID: DTXSID20992599
• Nikkaji Number: J69.185B
• Wikidata: Q82982889
• ChEMBL ID: CHEMBL4077039

Synonyms:2-Benzyl-5-nitro-1H-benzimidazole;2-Benzyl-5-nitro-benzimidazole;Benzyl-2 nitro-5 benzimidazole [French];7189-72-2;BENZIMIDAZOLE, 2-BENZYL-5-NITRO-;Benzyl-2 nitro-5 benzimidazole;CHEMBL4077039;2-benzyl-6-nitro-1H-benzimidazole;6-nitro-2-(phenylmethyl)-1H-benzimidazole;Oprea1_331428;2-Benzyl-5-nitrobenzimidazole;5-nitro-2-benzylbenzimidazole;SCHEMBL6763997;DTXSID20992599;BDBM50244670;AKOS002678173;LS-32641;EJY

Chemical Property of 2-Benzyl-5-nitro-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 4.34E-11mmHg at 25°C
• Boiling Point: 537.7°C at 760 mmHg
• Flash Point: 279°C
• Density: 1.359g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.085126602
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Technology Process of 2-Benzyl-5-nitro-1H-benzimidazole

There total 6 articles about 2-Benzyl-5-nitro-1H-benzimidazole 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: 88.0%

ethyl 2-phenylacetimidate hydrochloride (5442-34-2) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 2-benzyl-5-nitro-1H-benzo[d]imidazole (7189-72-2)

Guidance literature:

In methanol; at 60 ℃; for 0.166667h; Temperature; Microwave irradiation; Sealed tube;

Reference yield: 75.0%

phenylacetic acid (103-82-2) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 2-benzyl-5-nitro-1H-benzo[d]imidazole (7189-72-2)

Guidance literature:

With hydrogenchloride; at 110 ℃; for 24h;

DOI:10.1002/jhet.5570230430

Reference yield:

2-benzylbenzimidazole (621-72-7) → 2-benzyl-5-nitro-1H-benzo[d]imidazole (7189-72-2)

Guidance literature:

With sulfuric acid; nitric acid;

upstream raw materials:

2-benzylbenzimidazole

phenylacetic acid

4-Nitrophenylene-1,2-diamine

1,2-diamino-benzene

Downstream raw materials:

2-benzyl-1H-benzo[d]imidazol-5-amine

(5-nitro-1H-benzo[d]imidazol-2-yl)(phenyl)methanone

Methyl 2-Benzylbenzimidazole-5-carbamate

Ethyl 2-Benzylbenzimidazole-5-carbamate

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