1610889-04-7

Basic information

• Product Name: 3,3-bis(methylthio)-1-p-tolyl-2-(trifluoromethyl)prop-2-en-1-one
• Synonyms: 3,3-bis(methylthio)-1-p-tolyl-2-(trifluoromethyl)prop-2-en-1-one
• CAS NO: 1610889-04-7
• Molecular Weight: 306.373
• Mol File: 1610889-04-7.mol

Chemical Properties

• CAS DataBase Reference: 3,3-bis(methylthio)-1-p-tolyl-2-(trifluoromethyl)prop-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-bis(methylthio)-1-p-tolyl-2-(trifluoromethyl)prop-2-en-1-one(1610889-04-7)
• EPA Substance Registry System: 3,3-bis(methylthio)-1-p-tolyl-2-(trifluoromethyl)prop-2-en-1-one(1610889-04-7)

Safety Data

• Hazardous Substances Data: 1610889-04-7(Hazardous Substances Data)

Upstream product

• 41467-27-0 3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one 
• 680-15-9 2,2-difluoro-2-(fluorosulfonyl)acetate 
• 81290-20-2 (trifluoromethyl)trimethylsilane 

Downstream Products

• 1610889-27-4 5-(methylthio)-3-p-tolyl-4-(trifluoromethyl)-1H-pyrazole 

Relevant articles and documents

Efficient trifluoromethylation of C(sp2)-H functionalized α-oxoketene dithioacetals: a route to the regioselective synthesis of functionalized trifluoromethylated pyrazoles

An operationally simple approach for the regioselective construction of diversely substituted trifluoromethylated pyrazoles via nucleophilic trifluoromethylation of iodo-substituted α-oxoketene dithioacetals is described. X-ray crystallographic studies confirmed the trifluoromethylation as well as formation of a regioselective cyclized product. Furthermore, trifluoromethylated pyrazoles bearing thiomethyl groups may allow further functionalization and are of considerable interest in medicinal chemistry.

Copper-catalyzed trifluoromethylation of internal olefinic C-H bonds: Efficient routes to trifluoromethylated tetrasubstituted olefins and N-heterocycles

The functionalization of internal olefins has been a challenging task in organic synthesis. Efficient CuII-catalyzed trifluoromethylation of internal olefins, that is, α-oxoketene dithioacetals, has been achieved by using Cu(OH)2 as a catalyst and TMSCF3 as a trifluoromethylating reagent. The push-pull effect from the polarized olefin substrates facilitates the internal olefinic C-H trifluoromethylation. Cyclic and acyclic dithioalkyl α-oxoketene acetals were used as the substrates and various substituents were tolerated. The internal olefinic C-H bond cleavage was not involved in the rate-determining step, and a mechanism that involves radicals is proposed based on a TEMPO-quenching experiment of the trifluoromethylation reaction. Further derivatization of the resultant CF 3 olefins led to multifunctionalized tetrasubstituted CF3 olefins and trifluoromethylated N-heterocycles.