4-(5-Methyl-1H-benzoimidazol-2-yl)-phenylamine

Base Information

• Chemical Name: 4-(5-Methyl-1H-benzoimidazol-2-yl)-phenylamine
• CAS No.: 110178-74-0
• Molecular Formula: C14H13N3
• Molecular Weight: 223.277
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID60355508
• Wikidata: Q82134454
• Mol file: 110178-74-0.mol

Synonyms:110178-74-0;4-(5-Methyl-1H-benzoimidazol-2-yl)-phenylamine;4-(5-methyl-1H-benzimidazol-2-yl)aniline;4-(6-methyl-1H-benzimidazol-2-yl)aniline;4-(5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)ANILINE;4-(5-methyl-1H-1,3-benzodiazol-2-yl)aniline;4-(5-methyl-1 h-benzoimidazol-2-yl)-phenylamine;MFCD00628968;Oprea1_280703;Oprea1_813906;SCHEMBL2245390;DTXSID60355508;BQAHOIQJVNOZKN-UHFFFAOYSA-N;CCG-21824;STK284215;AKOS000108053;AKOS005827838;2-(4-Aminophenyl)-6-methylbenzimidazole;LS-01036;2-(4-Aminophenyl)-6-methyl benzimidazole;BB 0240397;E83299;EN300-235928;4-(5-Methyl-1H-benzoimidazol-2-yl)phenylamine;4-(5-Methyl-1H-benzoimidazol-2-yl)-phenyla mine;J-002390;F0921-3090;Z295196800

Chemical Property of 4-(5-Methyl-1H-benzoimidazol-2-yl)-phenylamine

Chemical Property:

• Vapor Pressure: 3.5E-09mmHg at 25°C
• Boiling Point: 474.8°C at 760 mmHg
• PKA: 11.80±0.10(Predicted)
• Flash Point: 272.4°C
• PSA: 54.70000
• Density: 1.247g/cm³
• LogP: 3.70170
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.110947427
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

4-(5-Methyl-1H-benzoimidazol-2-yl)phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N

Technology Process of 4-(5-Methyl-1H-benzoimidazol-2-yl)-phenylamine

There total 11 articles about 4-(5-Methyl-1H-benzoimidazol-2-yl)-phenylamine 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: 45.0%

5‐methyl‐2‐(4‐nitrophenyl)‐1H‐benzo[d]imidazole (69570-93-0) → 4-(5-methyl-1H-benzimidazol-2yl)aniline (110178-74-0)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; for 4h; Reflux;

DOI:10.1016/j.molliq.2017.05.061

Reference yield:

1-nitrobenzimidazole (733753-70-3) → 2-(4-Aminophenyl)-6-methyl benzimidazole (110178-74-0)

Guidance literature:

In Na₂S-9H₂₀;

Reference yield:

4-nitrobenzaldehdye (555-16-8) → 4-(5-methyl-1H-benzimidazol-2yl)aniline (110178-74-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium iodide / N,N-dimethyl-formamide / 24 h / Reflux

2: tin(II) chloride dihdyrate / ethanol / 4 h / Reflux

With tin(II) chloride dihdyrate; potassium iodide; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.molliq.2017.05.061

upstream raw materials:

N-(4-methyl-2-nitrophenyl)-4-nitrobenzamide

N-(4-methylphenyl)-4-nitrobenzamide

p-toluidine

4-nitro-benzoic acid

Downstream raw materials:

N-(4-(6-methyl-1H-benzo[d]imidazol-2-yl)phenyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide