2-(benzylthio)benzonitrile

Base Information

• Chemical Name: 2-(benzylthio)benzonitrile
• CAS No.: 63216-04-6
• Molecular Formula: C14H11NS
• Molecular Weight: 225.314
• Mol file: 63216-04-6.mol

Synonyms:2-Benzylmercapto-benzonitril;2-benzylsulfanyl-benzonitrile;o-(Benzylthio)benzonitril;benzyl 2-cyanophenyl sulfide;o-benzyl mercapto-benzonitrile;2-(benzylthio)benzonitrile;

Chemical Property of 2-(benzylthio)benzonitrile

Chemical Property:

• PSA: 49.09000
• LogP: 3.85058

Purity/Quality:

2-(BENZYLSULFANYL)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(benzylthio)benzonitrile

There total 8 articles about 2-(benzylthio)benzonitrile 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: 88.0%

2-Chlorobenzonitrile (873-32-5) + phenylmethanethiol (100-53-8) → o-benzyl mercapto-benzonitrile (63216-04-6)

Guidance literature:

With 1,3-bis(2,6-diisopropylphenyl)imidazolium chloride; potassium tert-butylate; nickel diacetate; In N,N-dimethyl-formamide; at 70 ℃; for 2h; Glovebox; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.08.055 DOI:10.1016/j.tetlet.2012.08.055

Reference yield: 85.0%

o-cyanobromobenzene (2042-37-7) + phenylmethanethiol (100-53-8) → o-benzyl mercapto-benzonitrile (63216-04-6) + 2-cyanothiophenol (34761-11-0)

Guidance literature:

With potassium tert-butylate; In ammonia; for 2h; Irradiation;

DOI:10.1016/S0040-4020(01)88635-X

Reference yield: 84.4%

phenylmethanethiol (100-53-8) + o-nitrobenzonitrile (612-24-8) → o-benzyl mercapto-benzonitrile (63216-04-6)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

upstream raw materials:

S-(benzylthio)salicylamide

o-cyanobromobenzene

phenylmethanethiol

2-fluorobenzonitrile

Downstream raw materials:

2-cyanothiophenol

2-(benzylthio)benzoic acid

2-acetyl-3-aminobenzothiophen

2-(2H-tetrazol-5-yl)benzenethiol

Refernces

• 1、 Cai, Xiaoqing,Chen, Qian,Chen, Xiaojian,Gao, Yang,Huo, Yanping,Li, Xianwei,Ouyang, Wensen,Rao, Jianhang,Wang, Jie. "Sequential C-H activation enabled expedient delivery of polyfunctional arenes". . p. 8075 - 8078. Retrieved 2021/08/20.
• 2、 -. "Malignant and non-malignant disease treatment with Ras antagonists". Page/Page column 14. . Retrieved 2016/05/09.