411233-39-1

Basic information

• Product Name: Benzonitrile, 2-fluoro-4-(methylthio)-
• Synonyms: 2-fluoro-4-methylsulfanylbenzonitrile;2-fluoro-4-(methylthio)benzonitrile;2-fluoro-4-methylsulfanyl-benzonitrile
• CAS NO: 411233-39-1
• Molecular Formula: C8H6FNS
• Molecular Weight: 167.207
• Mol File: 411233-39-1.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 2-fluoro-4-(methylthio)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 2-fluoro-4-(methylthio)-(411233-39-1)
• EPA Substance Registry System: Benzonitrile, 2-fluoro-4-(methylthio)-(411233-39-1)

Safety Data

• Hazardous Substances Data: 411233-39-1(Hazardous Substances Data)

Usage

General Description

Benzonitrile, 2-fluoro-4-(methylthio)-, also known as 2-Fluoro-4-(methylthio)benzonitrile, is a chemical compound with the molecular formula C8H6FNS. It is a yellow to brown colored liquid with a faint odor, and is primarily used as an intermediate in the production of pharmaceuticals and agrochemicals. Benzonitrile, 2-fluoro-4-(methylthio)- is known for its high purity and used as a building block in the synthesis of various pharmaceutical and agrochemical products. It is known for its stability and compatibility with other chemicals, making it a versatile and valuable component in the chemical industry.

Upstream product

• 101187-91-1 2-fluoro-4-mercaptobenzonitrile 
• 74-88-4 methyl iodide 
• 624-92-0 Dimethyldisulphide 
• 53312-80-4 4-amino-2-fluorobenzonitrile 
• 3939-09-1 2,4-difluorobenzonitrile 
• 5188-07-8 sodium thiomethoxide 

Downstream Products

• 411233-40-4 2-fluoro-4-(methylsulfonyl)benzonitrile 
• 1569652-20-5 2-fluoro-4-(methylsulfanyl)benzylamine 
• 1569652-27-2 2-(2-fluoro-4-methylsulfanyl-benzyl)-isoindole-1,3-dione 
• 1570084-49-9 (2-fluoro-4-(methylsulfanyl)benzyl)carbamic acid tert-butyl ester 

Relevant articles and documents

PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS

Complement Factor D inhibitors, pharmaceutical compositions, and uses thereof, as well as processes for their manufacture are provided. The compounds provided include Formula I, Formula II, Formula III, and Formula IV or a pharmaceutically acceptable salt, prodrug, isotopic analog, N-oxide, or isolated isomer thereof, optionally in a pharmaceutically acceptable composition. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade.

NEW COMPOUNDS I/418

There is provided compounds of formula I, wherein R1 to R7 have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.

Practical synthesis of 4-fluoro-2-(methylthio)benzylamine and the corresponding sulfone and sulfonamide

Practical syntheses of 4-fluoro-2-(methylthio)benzylamine 1 and the corresponding 2-methylsulfonyl analog 2 are reported. The methylthio moiety was introduced regioselectively by two methods. In the first method, metallation of 4-fluoro-2-bromobenzoic acid, followed by treatment with dimethyl disulfide resulted in an easily isolated intermediate, which was suitable for further elaboration to the benzylamine 1. In the second method, selective nucleophilic aromatic substitution of 2,4-difluorobenzonitrile with methanethiolate was explored, and a mechanistic rationale was offered for solvent effects on regioselectivity. Optimized conditions furnished the key 4-fluoro-2-(methylthio) benzonitrile for further functionalization to the 2-methylsulfonyl-4- fluorobenzylamine 2. In addition, the analogous sulfonamide 3 was prepared in a straightforward manner from 5-fluoro-2-methylbenzenesulfonyl chloride. Copyright Taylor & Francis Group, LLC.