1H-Benzimidazole,1-methyl-2-(trifluoromethyl)-(9CI)

Base Information

• Chemical Name: 1H-Benzimidazole,1-methyl-2-(trifluoromethyl)-(9CI)
• CAS No.: 384-46-3
• Molecular Formula: C9H7 F3 N2
• Molecular Weight: 200.16
• Hs Code.: 2933990090
• Mol file: 384-46-3.mol

Synonyms:Benzimidazole,1-methyl-2-(trifluoromethyl)- (7CI,8CI)

Chemical Property of 1H-Benzimidazole,1-methyl-2-(trifluoromethyl)-(9CI)

Chemical Property:

• Melting Point: 95-97 °C
• Boiling Point: 232.3±40.0 °C(Predicted)
• PKA: 3.12±0.10(Predicted)
• PSA: 17.82000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 2.59210

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-2-(trifluoromethyl)benzimidazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Benzimidazole,1-methyl-2-(trifluoromethyl)-(9CI)

There total 10 articles about 1H-Benzimidazole,1-methyl-2-(trifluoromethyl)-(9CI) 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%

N-methyl-1,2-phenylenediamine (4760-34-3) + trifluoroacetic acid (76-05-1) → 1-methyl-2-(trifluoromethyl)-1H-benzo[d]imidazole (384-46-3)

Guidance literature:

at 70 ℃; for 16h;

DOI:10.1016/j.tetlet.2012.09.069

Reference yield: 98.0%

2-Trifluoromethylbenzimidazole (312-73-2) + methyl iodide (74-88-4) → 1-methyl-2-(trifluoromethyl)-1H-benzo[d]imidazole (384-46-3)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Reflux;

Reference yield: 85.0%

trifluoromethanesulfonic acid diphenyl(trifluoromethyl)sulfonium salt (147531-11-1) + 1-methyl-2-iodo-1H-benzo[d]imidazole (34734-15-1) → 1-methyl-2-(trifluoromethyl)-1H-benzo[d]imidazole (384-46-3)

Guidance literature:

With copper; In N,N-dimethyl-formamide; at 60 ℃; for 11h;

DOI:10.1002/anie.201006823

upstream raw materials:

N-methyl-1,2-phenylenediamine

trifluoroacetic acid

2-Trifluoromethylbenzimidazole

methyl iodide

Refernces

• 1、 Miller, Shelli A.,van Beek, Bas,Hamlin, Trevor A.,Bickelhaupt, F. Matthias,Leadbeater, Nicholas E.. "A methodology for the photocatalyzed radical trifluoromethylation of indoles: A combined experimental and computational study". supporting information. p. 94 - 100. Retrieved 2018/08/28.
• 2、 Gao, Guo-Lin,Yang, Chao,Xia, Wujiong. "Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis". supporting information. p. 1041 - 1044. Retrieved 2017/02/05.