38746-92-8

Basic information

• Product Name: P-(METHYLTHIO)PHENYLACETONITRILE
• Synonyms: 4-(METHYLTHIO)PHENYLACETONITRILE;P-(METHYLTHIO)PHENYLACETONITRILE
• CAS NO: 38746-92-8
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.24
• Mol File: 38746-92-8.mol
• Article Data: 10

Chemical Properties

• Melting Point: 42-43°C
• Boiling Point: 375.3°Cat760mmHg
• Flash Point: 180.8°C
• Appearance: /
• Density: 1.37g/cm³
• Vapor Pressure: 0.00115mmHg at 25°C
• Refractive Index: 1.576
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: P-(METHYLTHIO)PHENYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: P-(METHYLTHIO)PHENYLACETONITRILE(38746-92-8)
• EPA Substance Registry System: P-(METHYLTHIO)PHENYLACETONITRILE(38746-92-8)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• HazardClass: IRRITANT, IRRITANT-HARMFUL
• Hazardous Substances Data: 38746-92-8(Hazardous Substances Data)

Usage

Chemical Properties

White to pale yellow solid

InChI:InChI=1/C9H9NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3

Upstream product

• 38185-19-2 4-(methylthio)benzyl bromide 
• 104-95-0 (4-bromophenyl)thioanisole 
• 105-56-6 ethyl 2-cyanoacetate 
• 773837-37-9 sodium cyanide 
• 3446-90-0 4-(methylthio)benzyl alcohol 
• 124-63-0 methanesulfonyl chloride 
• 1071-36-9 sodium cyanoacetate 
• 143-33-9 sodium cyanide 
• 874-87-3 1-(chloromethyl)-4-methylthiobenzene 
• 16532-79-9 4-Bromophenylacetonitrile 
• 5188-07-8 sodium thiomethoxide 

Downstream Products

• 876-31-3 4-(cyanomethyl)benzonitrile 
• 88985-87-9 tert-butyl 4-(methylthio)benzoperoxoate 
• 13205-48-6 4-(methylthio)benzoic acid 
• 221615-72-1 1-(6-methyl-3-pyridinyl)-2-[4-(methyl sulfide)phenyl]ethanone 
• 292067-97-1 5-chloro-3-(4-methylsulphonyl)phenyl-2-(2-methyl-5-pyridinyl)pyridine 
• 202409-33-4 etoricoxib 
• 1189328-82-2 1-[4-(methylsulfanyl)phenyl]cyclopropanecarboxylic acid 
• 221615-75-4 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]ethanone 
• 321913-54-6 1-(6-methyl-3-pyridinyl)-2-cyano-2-[(4-methylthio)phenyl]ethanone 
• 61023-48-1 2-(p-Methylthiophenyl)hexanenitrile 
• 80854-30-4 2-methyl-2-(4-(methylthio)phenyl)propanenitrile 
• 16188-55-9 2-(4-(methylthio)phenyl)acetic acid 
• 51632-34-9 α-Isopropyl-4-thiomethyl-phenylessigsaeure 
• 691881-28-4 [6-cyclohexyl-7-(4-methanesulfonyl-phenyl)-2,3-dihydro-imidazo[1,2-b]pyrazol-1-yl]-acetic acid tert-butyl ester 

Relevant articles and documents

Nickel-Catalyzed Cyanation of Aryl Thioethers

A nickel-catalyzed cyanation of aryl thioethers using Zn(CN)2 as a cyanide source has been developed to access functionalized aryl nitriles. The ligand dcype (1,2-bis(dicyclohexylphosphino)ethane) in combination with the base KOAc (potassium acetate) is essential for achieving this transformation efficiently. This reaction involves both a C-S bond activation and a C-C bond formation. The scalability, low catalyst and reagents loadings, and high functional group tolerance have enabled both late-stage derivatization and polymer recycling, demonstrating the reaction's utility across organic chemistry.

Preparation method of 4-methylthio phenylacetic acid

The invention provides a preparation method of 4-methylthio phenylacetic acid. According to the preparation method, p-halogenated phenylacetic acid and phenylacetic acid derivatives thereof are taken as the primary raw materials. The preparation method is characterized in that p-halogenated phenylacetic acid and phenylacetic acid derivatives thereof and sodium methyl mercaptide carry out catalytic reactions in the presence of cuprous ions and DMF, and 4-methylthio phenylacetic acid is obtained after the post treatment. The Willgerodt-kindler reactions will generate hydrogen sulfide, which is pollutant to the environment, the provided method does not have Willgerodt-kindler reactions, and thus the environmental pollution is avoided. Moreover, the operation is simple, and the method is environment-friendly and is suitable for large-scale industrial production.

Synthesis and selective cyclooxygenase-2 (COX-2) inhibitory activity of a series of novel bicyclic pyrazoles

Novel series of pyrazolo[5,1-b]1,3-oxazolidines, pyrazolo[5,1-b]1,3- oxazines and imidazolidino[1,2-d]pyrazoles were synthesized. These compounds were evaluated in vitro for their ability to inhibit cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) in human whole blood (HWB). Several of the compounds were found to be novel and selective COX-2 inhibitors, the most potent and selective being 1-(5-cyclohexyl (2H,3H-pyrazolo[5,1-b]-1,3- oxazolidin-6-yl)-4-(methylsulfonyl)benzene, 7a (IC5o for COX-1>100 μM; for COX-2=1.3 μM).