1-Methyl-2-(4-methylphenyl)benzimidazole

Base Information

• Chemical Name: 1-Methyl-2-(4-methylphenyl)benzimidazole
• CAS No.: 2620-78-2
• Molecular Formula: C15H14 N2
• Molecular Weight: 222.29
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30359593
• Nikkaji Number: J2.296.789D
• Wikidata: Q82140870
• Mol file: 2620-78-2.mol

Synonyms:1-methyl-2-(4-methylphenyl)benzimidazole;2620-78-2;AURORA KA-3763;1-methyl-2-(4-methylphenyl)-1H-benzimidazole;SCHEMBL2242681;DTXSID30359593;STL290673;AKOS001145800;1-methyl-2-(p-tolyl)-1H-benzo[d]imidazole;1-Methyl-2-(4-methylphenyl)-1H-benzoimidazole;1-methyl-2-(4-methylphenyl)-1H-1,3-benzimidazole;Z57822392;F1558-0188

Chemical Property of 1-Methyl-2-(4-methylphenyl)benzimidazole

Chemical Property:

• Vapor Pressure: 2.75E-06mmHg at 25°C
• Boiling Point: 389.9°Cat760mmHg
• Flash Point: 189.6°C
• PSA: 17.82000
• Density: 1.09g/cm³
• LogP: 3.54870
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 222.115698455
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C

Technology Process of 1-Methyl-2-(4-methylphenyl)benzimidazole

There total 24 articles about 1-Methyl-2-(4-methylphenyl)benzimidazole 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: 95.0%

4-methyl-benzaldehyde (104-87-0) + N-methyl-1,2-phenylenediamine (4760-34-3) → 1-methyl-2-p-tolyl-1H-benzoimidazole (2620-78-2)

Guidance literature:

With dodecatungstosilic acid; In ethyl acetate; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2007.05.144

Reference yield: 91.0%

benzaldehyde (100-52-7) + N-methyl-1,2-phenylenediamine (4760-34-3) → 1-methyl-2-p-tolyl-1H-benzoimidazole (2620-78-2)

Guidance literature:

With Ag₂CO₃/celite; In ethanol; at 70 ℃; for 3h;

DOI:10.1007/s13738-015-0592-1

Reference yield: 86.0%

N-methyl-1,2-phenylenediamine (4760-34-3) + para-methylbenzylamine (104-84-7) → 1-methyl-2-p-tolyl-1H-benzoimidazole (2620-78-2)

Guidance literature:

With palladium 10% on activated carbon; In dodecane; N,N-dimethyl acetamide; at 120 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c3ob40388b

upstream raw materials:

4-methyl-benzaldehyde

4-Methyl-benzyliden-2-azido-anilin

methyl trifluoromethanesulfonate

N-methyl-1,2-phenylenediamine

Downstream raw materials:

1,3-dimethyl-2-(4-methylphenyl)-1H-benzimidazolium iodide

Refernces

• 1、 Choi, Isaac,Müller, Valentin,Lole, Gaurav,K?hler, Robert,Karius, Volker,Vi?l, Wolfgang,Jooss, Christian,Ackermann, Lutz. "Photoinduced Heterogeneous C?H Arylation by a Reusable Hybrid Copper Catalyst". supporting information. p. 3509 - 3514. Retrieved 2020/03/03.
• 2、 Liu, Can,Wang, Zhiming,Wang, Lei,Li, Pinhua,Zhang, Yicheng. "Palladium-catalyzed direct C2-arylation of azoles with aromatic triazenes". . p. 9209 - 9216. Retrieved 2019/11/05.