1H-Benzimidazol-2-amine, 1-ethyl-N-phenyl-

Base Information

• Chemical Name: 1H-Benzimidazol-2-amine, 1-ethyl-N-phenyl-
• CAS No.: 116121-25-6
• Molecular Formula: C₁₅H₁₅N₃
• Molecular Weight: 237.304
• DSSTox Substance ID: DTXSID20358914
• Wikidata: Q82139831
• Mol file: 116121-25-6.mol

Synonyms:116121-25-6;1-Ethyl-N-phenyl-1H-benzo[d]imidazol-2-amine;1H-Benzimidazol-2-amine, 1-ethyl-N-phenyl-;DTXSID20358914;AKOS002792837

Chemical Property of 1H-Benzimidazol-2-amine, 1-ethyl-N-phenyl-

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 237.126597491
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2N=C1NC3=CC=CC=C3

Technology Process of 1H-Benzimidazol-2-amine, 1-ethyl-N-phenyl-

There total 7 articles about 1H-Benzimidazol-2-amine, 1-ethyl-N-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: 68.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 1-ethyl-1H-benzimidazole-2-sulfonic acid (90331-19-4) → 1-ethyl-N-phenyl-1H-benzo[d]imidazol-2-amine (116121-25-6)

Guidance literature:

at 160 - 170 ℃; for 3h;

DOI:10.1007/BF00472263

Reference yield: 68.0%

aniline (62-53-3) + 1-ethyl-1H-benzimidazole-2-sulfonic acid (90331-19-4) → 1-ethyl-N-phenyl-1H-benzo[d]imidazol-2-amine (116121-25-6)

Guidance literature:

at 160 - 170 ℃; for 3h;

DOI:10.1007/BF00472263

Reference yield:

benzoimidazole (51-17-2,79351-71-6) → 1-ethyl-N-phenyl-1H-benzo[d]imidazol-2-amine (116121-25-6)

Guidance literature:

Multi-step reaction with 4 steps

1: S-powder / 240 - 260 °C

2: NaOH, 30percent H₂O₂ / H₂O

3: 86.3 percent / NaOH / aq. ethanol / 1 h

4: 68 percent / 3 h / 160 - 170 °C

With sodium hydroxide; dihydrogen peroxide; sulfur; In ethanol; water;

DOI:10.1007/BF00472263

upstream raw materials:

4-amino-benzoic acid

1-ethyl-1H-benzimidazole-2-sulfonic acid

aniline

benzoimidazole