59475-53-5

Basic information

• Product Name: 4-[[(4-METHYLPHENYL)THIO]METHYL]-BENZONITRILE
• Synonyms: 4-[[(4-METHYLPHENYL)THIO]METHYL]-BENZONITRILE;BENZONITRILE, 4-[[(4-METHYLPHENYL)THIO]METHYL]-;UKRORGSYN-BB BBV-110417
• CAS NO: 59475-53-5
• Molecular Formula: C₁₅H₁₃NS
• Molecular Weight: 239.34
• Mol File: 59475-53-5.mol
• Article Data: 8

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-[[(4-METHYLPHENYL)THIO]METHYL]-BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[[(4-METHYLPHENYL)THIO]METHYL]-BENZONITRILE(59475-53-5)
• EPA Substance Registry System: 4-[[(4-METHYLPHENYL)THIO]METHYL]-BENZONITRILE(59475-53-5)

Safety Data

• Hazardous Substances Data: 59475-53-5(Hazardous Substances Data)

Upstream product

• 106-45-6 para-thiocresol 
• 874-86-2 4-cyanobenzyl chloride 
• 36651-88-4 N-(4-methylphenylazo)pyrrolidine 
• 106-49-0 p-toluidine 
• 911820-09-2 3-[(4-methylphenyl)sulfinyl]propanoic acid tert-butyl ester 
• 824-79-3 sodium 4-methylbenzenesulfinate 
• 2943-42-2 di(4-methyl)phenylthiosulfonate 
• 26104-68-7 (p-cyanobenzyl)triphenylphosphonium bromide 
• 104-85-8 para-methylbenzonitrile 
• 459-44-9 4-methylbenzenediazonium tetrafluoroborate 

Downstream Products

• 1210452-11-1 S-4-cyanobenzyl p-tolyl sulfoxide 
• 59475-60-4 4-[(p-tolylsulfonyl)methyl]benzonitrile 

Relevant articles and documents

Unusual Application for Phosphonium Salts and Phosphoranes: Synthesis of Chalcogenides

A novel strategy for the synthesis of sulfides and selenides from phosphonium salts and thio- or selenesulfonates, commercially available compounds, is described. When phosphoranes were used in the reaction, different products were obtained. The methodology does not require the use of metals, reactive species, or anhydrous conditions to be performed.

Nickel-catalyzed oxidative dehydrogenative coupling of alkane with thiol for C(sp3)-S bond formation

A nickel-catalyzed oxidative dehydrogenative coupling reaction of alkane with thiol for the construction of C(sp3)-S bond has been established, affording more than 50 alkyl thioethers. Notably, pharmaceutical and agrochemicals, such as Provigil, Chlorbenside and Pyridaben, were readily synthesized by this approach. The sterically hindered ligand BC and disulfide which was formed in situ oxidation of thiol, efficiently avoiding nickel-catalyst poisoning. A set of mechanistic experiments disclose both Ni-catalyzed and Ni-free HAA processes.

Aryl alkyl, aryl aryl thioether compound and its synthesis method

The invention discloses a synthesis method of an aryl-alkyl and aryl-aryl thioether compound represented by a formula (III). According to the synthesis method, aryl tetrafluoroboric acid diazonium salt is taken as a reaction raw material in a reaction solvent, aryl and alkyl thiosulfate is taken as a sulfurizing agent, and the materials react under the catalysis action of visible light and a photosensitive agent to obtain the aryl-alkyl and aryl-aryl thioether compound. According to the synthesis method, the raw materials are easy to obtain and are cheap, the reaction operation is simple, the reaction condition is mild and environment-friendly, the yield is higher, the functional group tolerance is excellent, later modification of drugs is successfully realized, and an efficient C-S bond construction method is provided for medicinal chemistry and biological orthogonal chemistry research.