Benzonitrile, 2-fluoro-4-(methylthio)-

Base Information

• Chemical Name: Benzonitrile, 2-fluoro-4-(methylthio)-
• CAS No.: 411233-39-1
• Molecular Formula: C8H6FNS
• Molecular Weight: 167.207
• Mol file: 411233-39-1.mol

Synonyms:2-fluoro-4-methylsulfanylbenzonitrile;2-fluoro-4-(methylthio)benzonitrile;2-fluoro-4-methylsulfanyl-benzonitrile;

Chemical Property of Benzonitrile, 2-fluoro-4-(methylthio)-

Chemical Property:

• PSA: 49.09000
• LogP: 2.41928

Purity/Quality:

99% ^*data from raw suppliers

2-FLUORO-4-(METHYLTHIO)BENZONITRILE 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzonitrile, 2-fluoro-4-(methylthio)-

There total 4 articles about Benzonitrile, 2-fluoro-4-(methylthio)- 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%

2-fluoro-4-mercaptobenzonitrile (101187-91-1) + methyl iodide (74-88-4) → 2-fluoro-4-(methylsulfanyl)benzonitrile (411233-39-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 3h;

Reference yield: 67.2%

Dimethyldisulphide (624-92-0) + 4-amino-2-fluorobenzonitrile (53312-80-4) → 2-fluoro-4-(methylsulfanyl)benzonitrile (411233-39-1)

Guidance literature:

With tert.-butylnitrite; In 1,2-dichloro-ethane; at 60 ℃; for 3h; Inert atmosphere;

Reference yield:

2,4-difluorobenzonitrile (3939-09-1,103496-86-2) + sodium thiomethoxide (5188-07-8) → 2-fluoro-4-(methylsulfanyl)benzonitrile (411233-39-1) + 4-fluoro-2-(methylthio)benzonitrile (410545-57-2)

Guidance literature:

In toluene; at 60 ℃; for 16h;

DOI:10.1080/00397910701319221

upstream raw materials:

2-fluoro-4-mercaptobenzonitrile

methyl iodide

2,4-difluorobenzonitrile

sodium thiomethoxide

Downstream raw materials:

2-fluoro-4-(methylsulfonyl)benzonitrile

2-fluoro-4-(methylsulfanyl)benzylamine

2-(2-fluoro-4-methylsulfanyl-benzyl)-isoindole-1,3-dione

(2-fluoro-4-(methylsulfanyl)benzyl)carbamic acid tert-butyl ester

Refernces

• 1、 -. "Compounds as syk kinase inhibitors". Paragraph 0800; 0801. . Retrieved 2013/03/26.
• 2、 Perlow, Debra S.,Kuo, Michelle S.,Moritz, H. Marie,Wai, John S.,Egbertson, Melissa S.. "Practical synthesis of 4-fluoro-2-(methylthio)benzylamine and the corresponding sulfone and sulfonamide". . p. 1887 - 1897. Retrieved 2008/02/03.