ChemicalBook--->CAS DataBase List--->28075-50-5

28075-50-5

28075-50-5 Structure

28075-50-5 Structure
IdentificationBack Directory
[Name]

1-CYCLOHEXEN-1-YL TRIFLUOROMETHANE-
[CAS]

28075-50-5
[Synonyms]

cyclohexenyl triflate
1-CYCLOHEXEN-1-YL TRIFLUOROMETHANE-
cyclohexen-1-yl trifluoromethanesulfonate
cyclohex-1-en-1-yl trifluoromethanesulfonate
1-Cyclohexenyl trifluoroMethanesulfonate 97%
Cyclohex-1-en-1-yl trifluoromethanesulphonate
CYCLOHEX-1-EN-1-YL TRIFLUOROMETHANESULPHONATE - NEW PRODUCT
Methanesulfonic acid, 1,1,1-trifluoro-, 1-cyclohexen-1-yl ester
Cyclohex-1-en-1-yl triflate, 1-{[(Trifluoromethyl)sulphonyl]oxy}cyclohex-1-ene
[Molecular Formula]

C7H9F3O3S
[MDL Number]

MFCD06411281
[MOL File]

28075-50-5.mol
[Molecular Weight]

230.21
Chemical PropertiesBack Directory
[Boiling point ]

84-87 °C4 mm Hg(lit.)
[density ]

1.315 g/mL at 25 °C(lit.)
[Fp ]

160 °F
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Colorless to yellow
[InChI]

1S/C7H9F3O3S/c8-7(9,10)14(11,12)13-6-4-2-1-3-5-6/h4H,1-3,5H2
[InChIKey]

WVSCRRLWRRANJY-UHFFFAOYSA-N
[SMILES]

FC(F)(F)S(=O)(=O)OC1=CCCCC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P210e-P280a-P370+P378a-P403+P235-P501a
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[HS Code ]

2904990090
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

Cyclohex-1-en-1-yl Trifluoromethanesulfonate is used a reactant in the regioselective preparation of phenylpyrrolidines via C-H functionalization of amines with aryl halides.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 51, p. 277, 1986 DOI: 10.1021/jo00352a039
[General Description]

1-Cyclohexenyl trifluoromethanesulfonate, also known as 1-cyclohexenyl triflate, is a cyclohexenyl sulfonate. Its trifluoromethylation reaction in the presence of different monodentate biaryl phosphine ligands has been investigated. The asymmetric Heck reaction of 1-cyclohexenyl trifluoromethanesulfonate using palladium complexes of phosphine oxazoline ligand has been studied.
Spectrum DetailBack Directory
[Spectrum Detail]

1-CYCLOHEXEN-1-YL TRIFLUOROMETHANE-(28075-50-5)1HNMR
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