19305-01-2

Basic information

• Product Name: 2-Butanone, 1,1,1-trifluoro-4-(2-thienyl)-
• CAS NO: 19305-01-2
• Molecular Formula: C8H7F3OS
• Molecular Weight: 208.204
• Mol File: 19305-01-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-Butanone, 1,1,1-trifluoro-4-(2-thienyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butanone, 1,1,1-trifluoro-4-(2-thienyl)-(19305-01-2)
• EPA Substance Registry System: 2-Butanone, 1,1,1-trifluoro-4-(2-thienyl)-(19305-01-2)

Safety Data

• Hazardous Substances Data: 19305-01-2(Hazardous Substances Data)

Upstream product

• 383-63-1 ethyl trifluoroacetate, 
• 1327133-50-5 C₁₂H₁₁NOS 
• 71777-98-5 1-phenyl-3-(thiophen-2-yl) propan-1-one 

Relevant articles and documents

Highly selective trifluoroacetic ester/ketone metathesis: An efficient approach to trifluoromethyl ketones and esters

A highly selective and atom efficient 'trifluoroacetic ester/ketone metathesis' has been sincerely witnessed. Enolizable alkyl (at least two non-hydrogen atoms) aryl ketones were found to react readily with ethyl trifluoroacetate under the promotion of NaH to afford trifluoroacetic ester/ketone exchange products, trifluoromethyl ketones (TFMKs), and aromatic acid esters, which were quite different from the general Claisen condensation products, 1,3-diketones. The outcome of the reaction between ketone and ethyl trifluoroacetate is strongly related to the structures of substrates, the steric congestion caused by alkyl group is in favor of the C-C bond cleavage. DFT investigation further disclosed that the metathesis reaction was a kinetically favored pathway. Using only a slight excess of cheap trifluoromethylation reagent, simple operation and mild conditions make it a practical method for preparation of TFMKs on large scale, as well as a new choice of converting aryl alkyl ketones to aromatic acid esters.