2-Methyl-4-nitro-1H-benzo[d]imidazole

Base Information

• Chemical Name: 2-Methyl-4-nitro-1H-benzo[d]imidazole
• CAS No.: 76320-88-2
• Molecular Formula: C8H7 N3 O2
• Molecular Weight: 177.16
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50363758
• Nikkaji Number: J1.211.823F
• Wikidata: Q82147498
• Mol file: 76320-88-2.mol

Synonyms:2-Methyl-4-nitro-1H-benzo[d]imidazole;76320-88-2;2-methyl-4-nitro-1H-benzimidazole;4(7)-Nitro-2-methylbenzimidazole;2-methyl-4-nitro-1H-benzoimidazole;1H-Benzimidazole, 2-methyl-4-nitro-;2-methyl-4-nitro-1H-1,3-benzodiazole;2-methyl-4-nitrobenzimidazole;SCHEMBL1013587;DTXSID50363758;4-nitro-2-methyl-1h-benzimidazole;7-nitro-2-methyl-1H-benzimidazole;MFCD02181148;4-NITRO-2-METHYLBENZIMIDAZOLE;AKOS006344199;DS-1707;A865502

Chemical Property of 2-Methyl-4-nitro-1H-benzo[d]imidazole

Chemical Property:

• Vapor Pressure: 9.96E-08mmHg at 25°C
• Melting Point: 217 °C
• Refractive Index: 1.707
• Boiling Point: 446°C at 760 mmHg
• PKA: 8.58±0.30(Predicted)
• Flash Point: 223.5°C
• PSA: 74.50000
• Density: 1.437g/cm³
• LogP: 2.30270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

99%, ^*data from raw suppliers

2-Methyl-4-nitro-1H-benzo[d]imidazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC2=C(N1)C=CC=C2[N+](=O)[O-]

Technology Process of 2-Methyl-4-nitro-1H-benzo[d]imidazole

There total 1 articles about 2-Methyl-4-nitro-1H-benzo[d]imidazole 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: 63.0%

N-(2,3-dinitrophenyl)acetamide (60956-27-6) → 2'-amino-3'-nitroacetanilide (76320-87-1) + 2-methyl-4-nitrobenzimidazole (76320-88-2)

Guidance literature:

With ammonia; In ethanol; at 100 ℃; for 0.25h; sealed tube;

Reference yield: 55.0%

2-methyl-4-nitro-1H-benzo[d]imidazole (76320-88-2) → 1-(4-methoxybenzyl)-2-methyl-4-nitro-1H-benzo[d]imidazole

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 16h; regioselective reaction;

DOI:10.1021/acs.jmedchem.5b01741

Reference yield:

2-methyl-4-nitro-1H-benzo[d]imidazole (76320-88-2) → 9-(4-{2-methyl-4-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-benzoimidazol-1-yl}-butyl)-9H-fluorene-9-carboxylic acid (2,2,2-trifluoro-ethyl)-amide

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / dimethylformamide / 86 h / 20 °C

2: H₂ / 10percent Pd/C / ethanol / 14 h / 20 °C

3: Et₃N / CH₂Cl₂ / 1.5 h / 20 °C

With hydrogen; potassium carbonate; triethylamine; 10percent Pd/C; In ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm000494a

upstream raw materials:

N-(2,3-dinitrophenyl)acetamide

Downstream raw materials:

2-methyl-4-aminobenzimidazole

1-benzyl-2-methyl-7-nitrobenzimidazole

1-benzyl-2-methyl-4-nitrobenzimidazole

1,2-Dimethyl-4-nitrobenzimidazol

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