1227931-82-9

Basic information

• Product Name: 1-(tert-butyl)-4-(3,3,3-trifluoroprop-1-yn-1-yl)-benzene
• Synonyms: 1-(tert-butyl)-4-(3,3,3-trifluoroprop-1-yn-1-yl)-benzene
• CAS NO: 1227931-82-9
• Molecular Weight: 226.241
• Mol File: 1227931-82-9.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 1-(tert-butyl)-4-(3,3,3-trifluoroprop-1-yn-1-yl)-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(tert-butyl)-4-(3,3,3-trifluoroprop-1-yn-1-yl)-benzene(1227931-82-9)
• EPA Substance Registry System: 1-(tert-butyl)-4-(3,3,3-trifluoroprop-1-yn-1-yl)-benzene(1227931-82-9)

Safety Data

• Hazardous Substances Data: 1227931-82-9(Hazardous Substances Data)

Upstream product

• 939-97-9 4-tert-Butylbenzaldehyde 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 220006-53-1 3-(4-(tert-butyl)phenyl)propiolic acid 
• 772-38-3 4-tert-Butylphenylacetylene 
• 147531-11-1 trifluoromethanesulfonic acid diphenyl(trifluoromethyl)sulfonium salt 
• 887144-97-0 Togni's reagent 
• 1415023-68-5 potassium (4-tert-butylphenyl)ethynyltrifluoroborate 

Relevant articles and documents

Regioselective Gold-Catalyzed Hydration of CF3- and SF5-alkynes

The regioselective gold-catalyzed hydration of CF3- and SF5-alkynes is described. The corresponding trifluoromethylated and pentasulfanylated ketones are obtained in up to 91% yield as single regioisomers showcasing the use of CF3 and SF5 as highly efficient directing groups in this reaction. Notably, this transformation represents the first use of CF3- and SF5-alkynes in gold catalysis.

Cu-promoted oxidative trifluoromethylation of terminal alkynes with difluoromethylene phosphobetaine

Difluoromethylene phosphobetaine (Ph3P+CF 2CO2-, PDFA), a known difluorocarbene reagent, was found to be able to efficiently trifluoromethylate terminal alkynes in the presence of Cu(I) and potassium fluoride. The transformation proceeded smoothly to afford the corresponding trifluoromethylated acetylenes in moderate yields. A difluorocarbene precursor, difluoromethylene phosphobetaine (Ph 3P+CF2CO2-, PDFA) was found to be able to act as a trifluoromethylating reagent in the presence of fluoride. The oxidative trifluoromethylation of terminal alkynes with PDFA promoted by Cu(I) occurred smoothly to give the corresponding trifluoromethylated acetylenes in moderate yields. Copyright

Copper-mediated trifluoromethylation of terminal alkynes by S-(trifluoromethyl)diarylsulfonium salt

The copper-mediated trifluoromethylation of terminal alkynes with S-(trifluoromethyl)diarylsulfonium salt has been carefully investigated. The reactions proceeded smoothly to afford trifluoromethylated acetylenes in moderate to good yields. This approach is a convenient method to synthesize a variety of functional trifluoromethylated acetylenes. A convenient method for the trifluoromethylation of a variety of terminal alkynes with S-(trifluoromethyl)diarylsulfoniumtriflate in the presence of copper iodide was described. The reactions proceeded smoothly under mild condition to give the desired product in moderate to good yields. Copyright