1537172-16-9

Basic information

• Product Name: [4-(3,3-difluoroallyl)phenyl](ethyl)sulfane
• Synonyms: [4-(3,3-difluoroallyl)phenyl](ethyl)sulfane
• CAS NO: 1537172-16-9
• Molecular Weight: 214.279
• Mol File: 1537172-16-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: [4-(3,3-difluoroallyl)phenyl](ethyl)sulfane(CAS DataBase Reference)
• NIST Chemistry Reference: [4-(3,3-difluoroallyl)phenyl](ethyl)sulfane(1537172-16-9)
• EPA Substance Registry System: [4-(3,3-difluoroallyl)phenyl](ethyl)sulfane(1537172-16-9)

Safety Data

• Hazardous Substances Data: 1537172-16-9(Hazardous Substances Data)

Upstream product

• 420-90-6 3-bromo-3,3-difluropropene 
• 145349-76-4 [4-(ethylsulfanyl)phenyl]boronic acid 

Relevant articles and documents

Highly γ-Selective Arylation and Carbonylative Arylation of 3-Bromo-3,3-difluoropropene via Nickel Catalysis

A nickel-catalyzed highly γ-regioselective arylation and carbonylative arylation of 3-bromo-3,3-difluoropropene has been developed. The reaction proceeds under mild reaction conditions, providing the gem-difluoroalkenes with high efficiency and good functional group tolerance. The resulting gem-difluoroalkenes can serve as versatile building blocks for diversified synthesis. Preliminary mechanistic studies and density functional theory calculations reveal that both non-radical and radical pathways are possible for the reaction, and the radical pathway is more likely. The high γ-regioselectivity results from the β-bromide elimination of alkylnickel(II) species or from the reductive elimination of nickel(III) species [(aryl)(CF2=CHCH2)NiIII(Ln)X]. The γ-selective carbonylation of 3-bromo-3,3-difluoropropene under 1 atm CO gas also provides a new way for nickel-catalyzed carbonylation.