2-Phenylbenzimidazole-4-carboxylic acid

Base Information

• Chemical Name: 2-Phenylbenzimidazole-4-carboxylic acid
• CAS No.: 66630-72-6
• Molecular Formula: C14H10N2O2
• Molecular Weight: 238.246
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40378098
• Wikidata: Q82167577
• ChEMBL ID: CHEMBL133169
• Mol file: 66630-72-6.mol

Synonyms:66630-72-6;2-Phenylbenzimidazole-4-carboxylic acid;2-PHENYL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID;2-phenyl-1H-benzimidazole-4-carboxylic acid;2-Phenyl-1H-benzimidazole-7-carboxylic acid;2-phenyl-1H-1,3-benzodiazole-4-carboxylic acid;2-Phenyl-1H-benzo[d]imidazole-7-carboxylic acid;MFCD06245480;1H-Benzimidazole-4-carboxylic acid, 2-phenyl-;2-PHENYL-3H-BENZOIMIDAZOLE-4-CARBOXYLICACID;SCHEMBL696548;CHEMBL133169;DTXSID40378098;LZGYSXDYTDCYCR-UHFFFAOYSA-N;AKOS005257387;AKOS012256438;CCG-357596;PS-11084;2-Phenyl-3H-benzimidazole-4-carboxylic acid;FT-0718781;EN300-66605;2-Phenyl-1H-benzo[d]imidazole-7-carboxylicacid;Z1065585448

Chemical Property of 2-Phenylbenzimidazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.85E-12mmHg at 25°C
• Melting Point: 287-288 °C
• Boiling Point: 527.6°C at 760 mmHg
• PKA: 0.15±0.30(Predicted)
• Flash Point: 272.9°C
• PSA: 65.98000
• Density: 1.377g/cm³
• LogP: 2.92810
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.074227566
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-Phenyl-1H-benzimidazole-7-carboxylic acid 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)C(=O)O

Technology Process of 2-Phenylbenzimidazole-4-carboxylic acid

There total 15 articles about 2-Phenylbenzimidazole-4-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: 20.0%

2,3-diaminobenzoic acid (603-81-6) → 2-Phenyl-4-benzimidazolylcarboxylic acid (66630-72-6)

Guidance literature:

With PPA; benzoic acid;

Reference yield: 20.0%

benzoic acid (65-85-0,8013-63-6) + 2,3-diaminobenzoic acid (603-81-6) → 2-Phenyl-4-benzimidazolylcarboxylic acid (66630-72-6)

Guidance literature:

With PPA; at 150 - 160 ℃; for 1h;

DOI:10.1021/jm000950v

Reference yield:

benzaldehyde (100-52-7) + 2,3-diaminobenzoic acid (603-81-6) → 2-Phenyl-4-benzimidazolylcarboxylic acid (66630-72-6)

Guidance literature:

With copper diacetate; acetic acid; In methanol; water; Heating;

DOI:10.1021/jm00164a054

upstream raw materials:

benzaldehyde

2,3-diaminobenzoic acid

benzoic acid

3-nitroanthranilic acid

Downstream raw materials:

2-phenyl-1H-benzoimidazole-4-carbonyl chloride

NU₁₀₇₀

4-(1H-imidazol-1-ylcarobnyl)-2-phenyl-1H-benzimidazole

C₂₈H₃₈N₆O₄S