(1H-Benzo[d]imidazol-5-yl)(phenyl)methanone

Base Information

• Chemical Name: (1H-Benzo[d]imidazol-5-yl)(phenyl)methanone
• CAS No.: 82326-53-2
• Molecular Formula: C14H10N2O
• Molecular Weight: 222.246
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70349453
• Nikkaji Number: J3.036.619K
• Wikidata: Q82124684
• ChEMBL ID: CHEMBL170993
• Mol file: 82326-53-2.mol

Synonyms:82326-53-2;(1H-Benzo[d]imidazol-5-yl)(phenyl)methanone;5-Benzoyl-1H-1,3-benzodiazole;3H-benzimidazol-5-yl(phenyl)methanone;SMR000011005;(1H-Benzoimidazol-5-yl)-phenyl-methanone;MLS000034982;5-benzoylbenzimidazole;6-benzoylbenzimidazole;BAS 02064111;CHEMBL170993;cid_648179;SCHEMBL1801614;BDBM39194;DTXSID70349453;HMS2469N09;1H-benzimidazol-5-yl-phenylmethanone;MFCD02575734;STK245051;1H-benzimidazol-5-yl(phenyl)methanone;1H-benzimidazol-6-yl(phenyl)methanone;AKOS005169899;AKOS005422565;6-BENZOYL-1H-1,3-BENZODIAZOLE;(1H-Benzimidazol-6-yl)(phenyl)methanone;BS-29593;CS-0455909;(1H-benzo[d]imidazol-6-yl)(phenyl)methanone;EN300-58808;D78630;A864425;SR-01000322602;SR-01000322602-1

Chemical Property of (1H-Benzo[d]imidazol-5-yl)(phenyl)methanone

Chemical Property:

• PSA: 45.75000
• LogP: 2.79390
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.079312947
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

95+% ^*data from raw suppliers

(1H-Benzo[d]imidazol-5-yl)(phenyl)methanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=CN3

Technology Process of (1H-Benzo[d]imidazol-5-yl)(phenyl)methanone

There total 13 articles about (1H-Benzo[d]imidazol-5-yl)(phenyl)methanone 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: 92.0%

formic acid (64-18-6) + 4-benzoylbenzene-1,2-diamine (39070-63-8) → (1H-benzo[d]imidazol-5-yl)(phenyl)methanone (82326-53-2)

Guidance literature:

With zinc(II) oxide; In water; at 70 ℃; for 2.5h;

DOI:10.1080/00397911.2010.522294

Reference yield: 92.0%

carbon dioxide (124-38-9,18923-20-1) + 4-benzoylbenzene-1,2-diamine (39070-63-8) → (1H-benzo[d]imidazol-5-yl)(phenyl)methanone (82326-53-2)

Guidance literature:

With bis[1,2-bis(diphenylphosphine)ethane]ruthenium dichloride; hydrogen; at 120 ℃; for 40h; under 112511 Torr; Green chemistry;

DOI:10.1039/c2gc36517k

Reference yield: 85.0%

4-benzoylbenzene-1,2-diamine (39070-63-8) + orthoformic acid triethyl ester (122-51-0) → (1H-benzo[d]imidazol-6-yl)(phenyl)methanone (82326-53-2)

Guidance literature:

With iron oxide; In neat (no solvent); at 80 ℃; for 0.283333h; Green chemistry;

DOI:10.1016/S1872-2067(11)60329-X

upstream raw materials:

5-chloro-1H-benzimidazole

benzaldehyde

formic acid

4-benzoylbenzene-1,2-diamine

Downstream raw materials:

(2-pyridyl)-5-benzoylbenzimidazole

Refernces

• 1、 Guo, Tao,He, Jianghua,Liu, Tianwei,Zhang, Yuetao. "One-Pot Transformation of Lignin and Lignin Model Compounds into Benzimidazoles". supporting information. . Retrieved 2022/02/07.
• 2、 Han, Limin,Hong, Hailong,Li, Xiao,Yang, Yue,Zhang, Junhua,Zhu, Ning. "Reductive cyclization of o-phenylenediamine with CO2 and BH3NH3 to synthesize 1H-benzoimidazole derivatives". supporting information. . Retrieved 2021/09/28.