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

Base Information

• Chemical Name: 4-(5-Chloro-1H-benzoimidazol-2-yl)-phenylamine
• CAS No.: 39861-21-7
• Molecular Formula: C13H10ClN3
• Molecular Weight: 243.695
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40356836
• Wikidata: Q82136436
• Mol file: 39861-21-7.mol

Synonyms:39861-21-7;4-(5-Chloro-1H-benzoimidazol-2-yl)-phenylamine;4-(6-chloro-1H-benzimidazol-2-yl)aniline;4-(5-Chloro-1H-benzo[d]imidazol-2-yl)aniline;4-(5-Chloro-1H-benzoimidazol-2-yl)phenylamine;4-(5-chloro-1h-benzimidazol-2-yl)aniline;Benzenamine, 4-(6-chloro-1H-benzimidazol-2-yl)-;SCHEMBL5761334;DTXSID40356836;HLBPVLWGRMFCML-UHFFFAOYSA-N;MFCD00443934;STK291495;AKOS000111015;AKOS005217030;DS-10706;BB 0246079;CS-0022022;F53158;4-(5-chloro-1h-1,3-benzodiazol-2-yl)aniline;4-(5-chloro-1h-benzoimidazol-2-yl) phenylamine;4-(5-Chloro-1H-benzoimidazol-2-yl)-phenyla mine;A919371;SR-01000311125;4-(5-chloro-1h-benzo[d]imidazol-2-yl)phenylamine;SR-01000311125-1

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

Chemical Property:

• PSA: 54.70000
• LogP: 4.04670
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 243.0563250
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

97% ^*data from raw suppliers

4-(5-Chloro-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: C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl)N

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

There total 5 articles about 4-(5-Chloro-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: 82.0%

N-(4-Chloro-2-nitro-phenyl)-4-nitro-benzamide (141245-76-3) → 4-(6-chloro-1H-benzo[d]imidazol-2-yl)aniline (39861-21-7)

Guidance literature:

With hydrogenchloride; tin; for 3h; Heating;

Reference yield: 64.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 4-Chloro-1,2-phenylenediamine (95-83-0) → 4-(5-chloro-1H-benzo[d]imidazol-2-yl)aniline (39861-21-7)

Guidance literature:

With Eaton’s reagent; at 0 - 130 ℃;

DOI:10.1016/j.bmc.2014.09.008

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → 4-(6-chloro-1H-benzo[d]imidazol-2-yl)aniline (39861-21-7)

Guidance literature:

Multi-step reaction with 2 steps

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

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

With hydrogenchloride; tin; In chlorobenzene;

upstream raw materials:

N-(4-Chloro-2-nitro-phenyl)-4-nitro-benzamide

4-nitro-benzoyl chloride

4-Chloro-2-nitroaniline

4-amino-benzoic acid

Downstream raw materials:

N-[4-(6-Chloro-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

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