1-Methyl-1H-benzimidazol-6-amine

Base Information

• Chemical Name: 1-Methyl-1H-benzimidazol-6-amine
• CAS No.: 26530-93-8
• Molecular Formula: C8H9 N3
• Molecular Weight: 147.18
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90546563
• Nikkaji Number: J640.948B
• Wikidata: Q82424432
• Mol file: 26530-93-8.mol

Synonyms:26530-93-8;1-Methyl-1H-benzo[d]imidazol-6-amine;1-METHYL-1H-BENZIMIDAZOL-6-AMINE;3-methylbenzimidazol-5-amine;1H-Benzimidazol-6-amine, 1-methyl-;1H-Benzimidazol-6-amine,1-methyl-(9CI);MFCD09764050;1-methyl-6-aminobenzimidazole;3-methyl-5-aminobenzimidazole;6-Amino-1-methylbenzimidazole;SCHEMBL520854;6-amino-1-methyl-benzimidazole;DTXSID90546563;AYZALFCBEKQGRT-UHFFFAOYSA-N;1-methyl-1H-benzoimidazol-6-amine;3-Methyl-3H-benzimidazol-5-ylamine;3-methyl-3H-benzoimidazol-5-ylamine;AKOS000298801;CS-W021347;SB75657;1-methyl-1H-1,3-benzodiazol-6-amine;DS-16673;SY104268;1-Methyl-1H-benzimidazol-6-amine, AldrichCPR;C74374;EN300-724969;A877198;BUTANOICACID,3-HYDROXY-4-IODO-,ETHYLESTER,(S)

Chemical Property of 1-Methyl-1H-benzimidazol-6-amine

Chemical Property:

• Vapor Pressure: 4.97E-05mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.667
• Boiling Point: 348.6°C at 760 mmHg
• PKA: 6.16±0.10(Predicted)
• Flash Point: 164.6°C
• PSA: 43.84000
• Density: 1.27g/cm³
• LogP: 1.73670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.079647300
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

1-methyl-1H-benzimidazol-6-amineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C=C(C=C2)N

Technology Process of 1-Methyl-1H-benzimidazol-6-amine

There total 12 articles about 1-Methyl-1H-benzimidazol-6-amine 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: 85.0%

1-(N,N-dimethylaminomethyl)-6-nitrobenzimidazole (103248-15-3) → 1-methyl-6-amino-1H-benzo[d]imidazole (26530-93-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 1900 Torr;

Reference yield: 45.0%

1-methyl-6-nitro-1H-benzoimidazole (5381-79-3) + 1-methyl-5-nitro-1H-benzo[d]imidazole (5381-78-2) → 1-methyl-1H-benzo[d]imidazol-5-amine (10394-38-4) + 1-methyl-6-amino-1H-benzo[d]imidazole (26530-93-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2013.04.005

Reference yield:

N2-methyl-4-nitrobenzene-1,2-diamine (95576-84-4) → 1-methyl-6-amino-1H-benzo[d]imidazole (26530-93-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 4.5 h / Reflux

2: hydrogen; palladium on activated charcoal / 16 h / 20 °C / 760.05 Torr

With palladium on activated charcoal; hydrogen;

upstream raw materials:

1-methyl-6-nitro-1H-benzoimidazole

1-(N,N-dimethylaminomethyl)-6-nitrobenzimidazole

5-nitrobenzimidazole

6-nitro-1H-benzo[d]imidazole

Downstream raw materials:

3-{(Z)-1-[(1-methyl-benzimidazol-6-yl)amino]-1-phenylmethylidene}-2-indolinone

6-(4-fluorophenyl)-2-methyl-N-(1-methyl-1H-benzimidazol-6-yl)nicotinamide

1-methyl-6-(p-tolylamino)benzimidazole