N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]acetamide

Base Information

• Chemical Name: N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]acetamide
• CAS No.: 141245-82-1
• Molecular Formula: C15H12ClN3O
• Molecular Weight: 285.733
• DSSTox Substance ID: DTXSID70356824
• Wikidata: Q82136414
• ChEMBL ID: CHEMBL1333327
• Mol file: 141245-82-1.mol

Synonyms:N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]acetamide;STK237170;141245-82-1;BAS 03420939;Oprea1_686839;Oprea1_713681;CHEMBL1333327;SCHEMBL13405889;DTXSID70356824;AKOS000634746;AKOS005421057;NCGC00142642-01

Chemical Property of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]acetamide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 285.0668897
• Heavy Atom Count: 20
• Complexity: 357

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl

Technology Process of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]acetamide

There total 4 articles about N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]acetamide 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: 97.0%

acetic anhydride (108-24-7) + 4-(6-chloro-1H-benzo[d]imidazol-2-yl)aniline (39861-21-7) → N-[4-(6-Chloro-1H-benzoimidazol-2-yl)-phenyl]-acetamide (141245-82-1)

Guidance literature:

In chloroform; at 60 ℃; for 0.666667h;

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → N-[4-(6-Chloro-1H-benzoimidazol-2-yl)-phenyl]-acetamide (141245-82-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / chlorobenzene / 2.5 h / 130 - 132 °C

2: 82 percent / Sn, 36percent aq. HCl / 3 h / Heating

3: 97 percent / CHCl₃ / 0.67 h / 60 °C

With hydrogenchloride; tin; In chloroform; chlorobenzene;

Reference yield:

4-Chloro-2-nitroaniline (89-63-4) → N-[4-(6-Chloro-1H-benzoimidazol-2-yl)-phenyl]-acetamide (141245-82-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / chlorobenzene / 2.5 h / 130 - 132 °C

2: 82 percent / Sn, 36percent aq. HCl / 3 h / Heating

3: 97 percent / CHCl₃ / 0.67 h / 60 °C

With hydrogenchloride; tin; In chloroform; chlorobenzene;

upstream raw materials:

acetic anhydride

4-(6-chloro-1H-benzo[d]imidazol-2-yl)aniline

4-nitro-benzoyl chloride

4-Chloro-2-nitroaniline

Downstream raw materials:

N-[4-(6-Chloro-5-nitro-1H-benzoimidazol-2-yl)-phenyl]-acetamide

2-(4-Amino-phenyl)-6-chloro-1H-benzoimidazol-5-ylamine

4-(6-Chloro-5-nitro-1H-benzoimidazol-2-yl)-phenylamine