2-(2-Chlorophenyl)-1H-benzimidazole-5-carboxylic acid

Base Information

• Chemical Name: 2-(2-Chlorophenyl)-1H-benzimidazole-5-carboxylic acid
• CAS No.: 174422-13-0
• Molecular Formula: C14H9 Cl N2 O2
• Molecular Weight: 272.691
• ChEMBL ID: CHEMBL4633340
• DSSTox Substance ID: DTXSID60406807
• Wikidata: Q82211907
• Mol file: 174422-13-0.mol

Synonyms:174422-13-0;2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid;2-(2-Chloro-phenyl)-1H-benzimidazole-5-carboxylic acid;1H-Benzimidazole-6-carboxylic acid, 2-(2-chlorophenyl)-;2-(2-Chlorophenyl)-1H-benzo[d]imidazole-6-carboxylic acid;2-(2-Chlorophenyl)-1H-benzimidazole-5-carboxylic acid;Oprea1_034672;SCHEMBL3172795;CHEMBL4633340;2-(2-chlorophenyl)-1H-1,3-benzodiazole-5-carboxylic acid;2-(2-chlorophenyl)-1H-1,3-benzodiazole-5-carboxylicacid;DTXSID60406807;MFCD02952732;AKOS009356524;AKOS030241143;NS-04399;Z1527358640;2-(2-chlorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid

Chemical Property of 2-(2-Chlorophenyl)-1H-benzimidazole-5-carboxylic acid

Chemical Property:

• PSA: 65.98000
• LogP: 3.58150
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 272.0352552
• Heavy Atom Count: 19
• Complexity: 352

Purity/Quality:

2-(2-CHLORO-PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2-Chlorophenyl)-1H-benzimidazole-5-carboxylic acid

There total 1 articles about 2-(2-Chlorophenyl)-1H-benzimidazole-5-carboxylic acid 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:

2-chloro-benzaldehyde (89-98-5) + 3,4-diaminobenzoic acid (619-05-6) → 2-(2-chlorophenyl)-1H-benzimidazole-5-carboxylic acid (174422-13-0)

Guidance literature:

With hydrogenchloride; sodium sulfide; copper diacetate; Yield given. Multistep reaction; 1.) MeOH, heating, 2.) EtOH;

Reference yield: 100.0%

2-(2-chlorophenyl)-1H-benzimidazole-5-carboxylic acid (174422-13-0) → 2-(2-Chloro-phenyl)-1H-benzoimidazole-5-carbonyl chloride

Guidance literature:

With thionyl chloride; for 8h; Reflux;

DOI:10.1016/j.ejmech.2011.04.004

Reference yield: 75.0%

methanol (67-56-1) + 2-(2-chlorophenyl)-1H-benzimidazole-5-carboxylic acid (174422-13-0) → 2-(2-chloro-phenyl)-1H-benzoimidazole-5-carboxylic acid methyl ester

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/S0014-827X(99)00059-2

upstream raw materials:

2-chloro-benzaldehyde

3,4-diaminobenzoic acid

Downstream raw materials:

4''-O-(2-(2-chlorophenyl)-1H-benzimidazole-5-carbonyl)hydrazinecarbonylclarithromycin