2-(1H-IMIDAZOL-1-YL)BENZENECARBONITRILE

Base Information

• Chemical Name: 2-(1H-IMIDAZOL-1-YL)BENZENECARBONITRILE
• CAS No.: 25373-49-3
• Molecular Formula: C10H7 N3
• Molecular Weight: 169.186
• Hs Code.: 29332900
• Mol file: 25373-49-3.mol

Synonyms:Benzonitrile,o-imidazol-1-yl- (8CI); 1-(2-Cyanophenyl)-1H-imidazole;1-(2-Cyanophenyl)imidazole; 1-(2'-Cyanophenyl)imidazole; 2-(1-Imidazolyl)benzonitrile

Chemical Property of 2-(1H-IMIDAZOL-1-YL)BENZENECARBONITRILE

Chemical Property:

• Vapor Pressure: 7.64E-06mmHg at 25°C
• Melting Point: 148 °C
• Boiling Point: 375.7°Cat760mmHg
• PKA: 4.82±0.10(Predicted)
• Flash Point: 181°C
• PSA: 41.61000
• Density: 1.13g/cm³
• LogP: 1.74398

Purity/Quality:

98%Min ^*data from raw suppliers

2-(1H-Imidazol-1-yl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-(1H-Imidazol-1-yl)benzonitrile is a potent inhibitor of microsomal drug metabolism.

Technology Process of 2-(1H-IMIDAZOL-1-YL)BENZENECARBONITRILE

There total 9 articles about 2-(1H-IMIDAZOL-1-YL)BENZENECARBONITRILE 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: 100.0%

1H-imidazole (288-32-4) + 2-fluorobenzonitrile (394-47-8) → 2-imidazol-1-yl-benzonitrile (25373-49-3)

Guidance literature:

With 1,2,3-Benzotriazole; potassium tert-butylate; copper(l) iodide; In dimethyl sulfoxide; at 110 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2007.04.061

Reference yield: 99.0%

1H-imidazole (288-32-4) + 2-Chlorobenzonitrile (873-32-5) → 2-imidazol-1-yl-benzonitrile (25373-49-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.1055/s-0029-1216890

Reference yield: 98.0%

2-fluorobenzonitrile (394-47-8) + imidazolyl sodium (5587-42-8) → 2-imidazol-1-yl-benzonitrile (25373-49-3)

Guidance literature:

In acetonitrile;

upstream raw materials:

1H-imidazole

2-fluorobenzonitrile

2-Chlorobenzonitrile

imidazolyl sodium

Downstream raw materials:

1-(2-[(4S)-4-isopropyloxazolyl]phenyl)-3-methyl imidazolium iodide

2-(1H-imidazol-1-yl)benzoic acid

(2-(1H-imidazole-1-yl)phenyl)methanamine

Refernces

• 1、 Sivakami,Babu, S. Ganesh,Dhanuskodi,Karvembu. "Magnetically retrievable lepidocrocite supported copper oxide nanocatalyst (Fe-CuO) for N-arylation of imidazole". . p. 8571 - 8578. Retrieved 2015/03/03.
• 2、 Cao, Changsheng,Lu, Zhongbo,Cai, Zhengyuan,Pang, Guangsheng,Shi, Yanhui. "Cheap Cu(I)/hexamethylenetetramine (HMTA) catalytic system for C-N coupling reactions". experimental part. p. 279 - 284. Retrieved 2011/10/31.