ChemicalBook--->CAS DataBase List--->147531-11-1

147531-11-1

147531-11-1 Structure

147531-11-1 Structure
IdentificationBack Directory
[Name]

diphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonate
[CAS]

147531-11-1
[Synonyms]

Diphenyl(trifluoromethyl)
diphenyl(trifluoromethyl)sulfanium
sulfonium trifluoromethanesulfonate
diphenyl-(trifluoroMethyl)-sulfoniuM
(S)-(trifluoroMethyl)diphenylsulfoniuM triflate
Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfot
Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonat
diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate
diphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonate
Diphenyl-(trifluoroMethyle)-sulfoniuM trifluoroMethancesulfonate
Sulfonium, diphenyl(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
[Molecular Formula]

C13H10F3S.CF3O3S
[MDL Number]

MFCD12912173
[MOL File]

147531-11-1.mol
[Molecular Weight]

404.35
Chemical PropertiesBack Directory
[Melting point ]

84-85 °C
[storage temp. ]

Inert atmosphere,2-8°C
[InChI]

InChI=1S/C13H10F3S.CHF3O3S/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1
[InChIKey]

YHEBUXDOUNWVNZ-UHFFFAOYSA-M
[SMILES]

C(F)(F)(F)S(=O)(=O)[O-].C1=CC=CC([S+](C(F)(F)F)C2C=CC=CC=2)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[HS Code ]

29339900
Hazard InformationBack Directory
[Uses]

Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate
[Synthesis]

Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate is synthesised using phenyl trifluoromethyl sulfoxide as a raw material by chemical reaction. The specific synthesis steps are as follows:
Trifluoromethyl sulfoxide (0.4 g, 2.1 mmol) and then benzene (4.9 g, 64 mmol) are introduced, under an inert atmosphere and at approximately 0° C. (lower limit below which benzene crystallizes), into a Schlenck tube purged beforehand with argon. Five equivalents of triflic anhydride (2.82 g, 10 mmol) are gradually added. The mixture is stirred for 1 h at 0° C. and then for 24 h at ambient temperature. The medium is evaporated and the residue is purified by chromatography with the CH3CN/CH2Cl2 (1/4) mixture as eluent. White crystals (Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate), having a melting point of 69-70° C., are obtained with a yield of 40%.
Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate synthesis
[References]

[1] J. MATSUO. A Convenient Method for the Synthesis of 2-Arylaziridines from Styrene Derivatives via 2-Arylethenyl(diphenyl)sulfonium Salts[J]. Chemistry Letters, 2003. DOI:10.1246/CL.2003.392.
Spectrum DetailBack Directory
[Spectrum Detail]

diphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonate(147531-11-1)1HNMR
diphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonate(147531-11-1)19FNMR
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