1H-Benzimidazole,1-(1,1-dimethylethyl)-(9CI)

Base Information

• Chemical Name: 1H-Benzimidazole,1-(1,1-dimethylethyl)-(9CI)
• CAS No.: 17582-96-6
• Molecular Formula: C11H14 N2
• Molecular Weight: 174.24226
• Hs Code.: 2933990090
• Mol file: 17582-96-6.mol

Synonyms:Benzimidazole,1-tert-butyl- (8CI); 1-tert-Butylbenzimidazole; N-tert-Butylbenzimidazole

Chemical Property of 1H-Benzimidazole,1-(1,1-dimethylethyl)-(9CI)

Chemical Property:

• PSA: 17.82000
• LogP: 2.79130

Purity/Quality:

1-(1,1-DIMETHYLETHYL)-1H-BENZIMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Benzimidazole,1-(1,1-dimethylethyl)-(9CI)

There total 5 articles about 1H-Benzimidazole,1-(1,1-dimethylethyl)-(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%

methanol (67-56-1) + N-(tert-butyl)-2-nitroaniline (28458-45-9) → 1-(tert-butyl)-1H-benzimidazole (17582-96-6)

Guidance literature:

With iron; ammonium chloride; at 68 - 70 ℃; for 48h; Inert atmosphere;

Reference yield: 81.0%

methanol (67-56-1) + N1-(tert-butyl)benzene-1,2-diamine (28458-68-6) → 1-(tert-butyl)-1H-benzimidazole (17582-96-6)

Guidance literature:

With [Mn(HN(C₂H₄PⁱPr₂)₂)(CO)₂Br]; sodium carbonate; at 165 ℃; for 16h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/cjoc.202100886

Reference yield: 41.0%

benzoimidazole (51-17-2,79351-71-6) + t-butyl bromide (507-19-7) → 1-(tert-butyl)-1H-benzimidazole (17582-96-6)

Guidance literature:

With triethylamine; In toluene; at 120 ℃; for 48h; Inert atmosphere; Schlenk technique;

DOI:10.1002/zaac.201200425

upstream raw materials:

benzoimidazole

t-butyl bromide

methanol

N-(tert-butyl)-2-nitroaniline

Refernces

• 1、 Li, Yibiao,Liu, Qiang,Shao, Zhihui,Yuan, Shanshan. "Using Methanol as a Formaldehyde Surrogate for Sustainable Synthesis of N-Heterocycles via Manganese-Catalyzed Dehydrogenative Cyclization". supporting information. . Retrieved 2022/02/23.
• 2、 Xin, Hai-Long,Pang, Bo,Choi, Jeesoo,Akkad, Walaa,Morimoto, Hiroyuki,Ohshima, Takashi. "C-C Bond Cleavage of Unactivated 2-Acylimidazoles". . p. 11592 - 11606. Retrieved 2020/10/23.