1-Methyl-2-phenylbenzimidazole

Base Information

• Chemical Name: 1-Methyl-2-phenylbenzimidazole
• CAS No.: 2622-63-1
• Molecular Formula: C14H12 N2
• Molecular Weight: 208.263
• Hs Code.: 2933990090
• European Community (EC) Number: 220-073-4
• UNII: FA5J4RSN5S
• DSSTox Substance ID: DTXSID80180859
• Nikkaji Number: J192.130D
• Wikidata: Q83051474
• ChEMBL ID: CHEMBL2046760
• Mol file: 2622-63-1.mol

Synonyms:1-Methyl-2-phenylbenzimidazole;2622-63-1;1-methyl-2-phenyl-1H-benzo[d]imidazole;1-Methyl-2-phenyl-1H-benzimidazole;1H-Benzimidazole, 1-methyl-2-phenyl-;1-methyl-2-phenyl-1H-1,3-benzodiazole;EINECS 220-073-4;1-Methyl-2-phenyl-1H-benzoimidazole;Maybridge3_000925;FA5J4RSN5S;SCHEMBL517706;CHEMBL2046760;DTXSID80180859;HMS1433K01;1-methyl-2-phenylbenzo[d]imidazole;CAA62263;MFCD00005764;AKOS000636542;1-Methyl-2-phenyl-1H-benzimidazole #;IDI1_012312;TS-00405;CS-0314997;D84347;A924820;BRD-K61978365-001-01-5

Chemical Property of 1-Methyl-2-phenylbenzimidazole

Chemical Property:

• Vapor Pressure: 5.57E-06mmHg at 25°C
• Melting Point: 96 °C
• Boiling Point: 380.1°Cat760mmHg
• PKA: 5.14±0.10(Predicted)
• Flash Point: 183.7°C
• PSA: 17.82000
• Density: 1.11g/cm³
• LogP: 3.24030
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

98%Min ^*data from raw suppliers

1-Methyl-2-phenylbenzimidazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2N=C1C3=CC=CC=C3

Technology Process of 1-Methyl-2-phenylbenzimidazole

There total 84 articles about 1-Methyl-2-phenylbenzimidazole 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: 99.0%

benzoic acid anhydride (93-97-0) + N-methyl-1,2-phenylenediamine (4760-34-3) → 1-methyl-2-phenylbenzimidazole (2622-63-1)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; water; at 445 ℃; for 0.00277778h; under 187519 Torr; Supercritical conditions;

Reference yield: 97.0%

benzaldehyde (100-52-7) + N-methyl-1,2-phenylenediamine (4760-34-3) → 1-methyl-2-phenylbenzimidazole (2622-63-1)

Guidance literature:

With sodium metabisulfite; In N,N-dimethyl-formamide; Reflux;

Reference yield: 97.0%

2-(4-fluorophenyl)-1-methyl-1H-benzo[d]imidazole (724-59-4) → 1-methyl-2-phenylbenzimidazole (2622-63-1)

Guidance literature:

With 2-methyl-propan-1-ol; methanesulfonato(2-dicyclohexylphosphino -2’,6’-di-i-propoxy-1,1‘-biphenyl)(2’-amino-1,1’-biphenyl-2-yl)palladium(II); sodium tert-pentoxide; In toluene; at 80 ℃; for 18h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.9b00889

upstream raw materials:

N-methylbenzene-1,2-diamine dihydrochloride

benzaldehyde

ethanol

N-methyl-1,2-phenylenediamine

Downstream raw materials:

2-(biphenyl-2-yl)-1-methylbenzimidazole

3-amino-1-methyl-2-phenylbenzimidazolium mesitylsulphonate

1-methyl-2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo[d]imidazole

Refernces

• 1、 Curini, Massimo,Epifano, Francesco,Montanari, Francesca,Rosati, Ornelio,Taccone, Sara. "Ytterbium triflate promoted synthesis of benzimidazole derivatives". . p. 1832 - 1834. Retrieved 2004.
• 2、 Brodney, Michael A.,Gair, Joseph J.,Giroux, Simon,Grey, Ronald L.. "Palladium-catalyzed hydrodefluorination of fluoroarenes". . p. 131 - 146. Retrieved 2021/06/18.
• 3、 Liu, Chengwei,Ji, Chong-Lei,Zhou, Tongliang,Hong, Xin,Szostak, Michal. "Bimetallic Cooperative Catalysis for Decarbonylative Heteroarylation of Carboxylic Acids via C-O/C-H Coupling". supporting information. p. 10690 - 10699. Retrieved 2021/04/09.