1400258-81-2

Basic information

• Product Name: (2-trifluoromethyl-4,5-dimethylphenyl)ethylsulfide
• Synonyms: (2-trifluoromethyl-4,5-dimethylphenyl)ethylsulfide
• CAS NO: 1400258-81-2
• Molecular Weight: 234.285
• Mol File: 1400258-81-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (2-trifluoromethyl-4,5-dimethylphenyl)ethylsulfide(CAS DataBase Reference)
• NIST Chemistry Reference: (2-trifluoromethyl-4,5-dimethylphenyl)ethylsulfide(1400258-81-2)
• EPA Substance Registry System: (2-trifluoromethyl-4,5-dimethylphenyl)ethylsulfide(1400258-81-2)

Safety Data

• Hazardous Substances Data: 1400258-81-2(Hazardous Substances Data)

Upstream product

• 145327-75-9 Bis(ethylthio)(1,2,2,2-tetrafluoroethylidene)methane 
• 513-81-5 2,3-dimethyl-buta-1,3-diene 

Relevant articles and documents

Diels-Alder reactions of perfluoroketene dithioacetals with electron-rich 1,3-dienes: A new access to polysubstituted aromatic sulfides

The present paper describes the Diels-Alder reactions of perfluoroketene dithioacetals with electron-rich 1,3-dienes (2,3-dimethylbuta-1,3-diene, isoprene, penta-1,3-diene) followed by spontaneous HF and thiol elimination, leading to polysubstituted aromatic sulfides in moderate to good yields. Reactions seem to be dependent on the substitution patterns of perfluoroketene dithioacetals; the best results were obtained from trifluoromethyl or pentafluoroethyl and ethylsulfanyl derivatives. Theoretical calculations performed at the DFT level are in good agreement with the experimental results and show that the overall process is controlled by the cycloaddition step.