1H-Benzimidazole, 2-(3,4-dinitrophenyl)-5-phenyl-

Base Information

• Chemical Name: 1H-Benzimidazole, 2-(3,4-dinitrophenyl)-5-phenyl-
• CAS No.: 192879-70-2
• Molecular Formula: C19H12N4O4
• Molecular Weight: 360.329
• DSSTox Substance ID: DTXSID90444196
• Wikidata: Q82262255
• Mol file: 192879-70-2.mol

Synonyms:1H-Benzimidazole, 2-(3,4-dinitrophenyl)-5-phenyl-;192879-70-2;DTXSID90444196

Chemical Property of 1H-Benzimidazole, 2-(3,4-dinitrophenyl)-5-phenyl-

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 360.08585488
• Heavy Atom Count: 27
• Complexity: 557

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1H-Benzimidazole, 2-(3,4-dinitrophenyl)-5-phenyl-

There total 1 articles about 1H-Benzimidazole, 2-(3,4-dinitrophenyl)-5-phenyl- 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: 66.0%

2,4-dinitrobenzaldehyde (35998-98-2) + biphenyl-3,4-diamine (4458-39-3) → 2-(3,4-dinitrophenyl)-5-phenylbenzimidazole (192879-70-2)

Guidance literature:

In nitrobenzene; at 145 ℃;

DOI:10.1021/jm960658g

Reference yield: 80.0%

2-(3,4-dinitrophenyl)-5-phenylbenzimidazole (192879-70-2) → 2-(3,4-diaminophenyl)-5-phenyl-benzimidazole (237429-60-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 1.5h;

DOI:10.1016/S0968-0896(00)00054-7

Reference yield:

2-(3,4-dinitrophenyl)-5-phenylbenzimidazole (192879-70-2) → 5-phenyl-2-[2'-(3,4-diaminophenyl)benzimidazol-5'yl]benzimidazole (230308-95-9)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / 10percent Pd/C / ethyl acetate / 1.5 h

2: nitrobenzene / 145 °C

3: H₂ / 10percent Pd/C / ethyl acetate / 1.5 h

With hydrogen; palladium on activated charcoal; In ethyl acetate; nitrobenzene;

DOI:10.1021/jm960658g

upstream raw materials:

2,4-dinitrobenzaldehyde

biphenyl-3,4-diamine

Downstream raw materials:

2-(3,4-diaminophenyl)-5-phenyl-benzimidazole

5-phenyl-2-[2'-(3,4-phenylenediamine)benzimidazol-5-yl]benzimidazole

5-phenyl-2-[2'-(3,4-dinitrophenyl)benzimidazol-5'-yl]benzimidazole

2''-(2-methoxy-ethyl)-5-phenyl-1H,3'H,3''H-[2,5';2',5'']terbenzoimidazole