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480584

Sigma-Aldrich

1-Cyclohexenyl trifluoromethanesulfonate

97%

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About This Item

Empirical Formula (Hill Notation):
C7H9F3O3S
CAS Number:
28075-50-5
Molecular Weight:
230.20
MDL number:
MFCD06411281
UNSPSC Code:
12352100
PubChem Substance ID:
24871697
NACRES:
NA.22

Quality Level

100

Assay

97%

bp

84-87 °C/4 mmHg (lit.)

density

1.315 g/mL at 25 °C (lit.)

functional group

fluoro
triflate

storage temp.

2-8°C

SMILES string

FC(F)(F)S(=O)(=O)OC1=CCCCC1

InChI

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

InChI key

WVSCRRLWRRANJY-UHFFFAOYSA-N

Related Categories

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.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

160.0 °F - closed cup

Flash Point(C)

71.1 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

480584-5G:
480584-25G:
480584-BULK:
480584-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL9805
MKBQ5325V
MKBQ3728V
MKBN5214V
MKBN7067V

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Eun Jin Cho et al.
Organic letters, 13(24), 6552-6555 (2011-11-25)
A method for the palladium-catalyzed trifluoromethylation of cyclohexenyl sulfonates has been developed. Various cyclohexenyl triflates and nonaflates underwent trifluoromethylation under mild reaction conditions using a catalyst system composed of Pd(dba)(2) or [(allyl)PdCl](2) and the monodentate biaryl phosphine ligand (t)BuXPhos. The
Proline derived phosphine-oxazoline ligands in the asymmetric Heck reaction.
Gilbertson SR, et al.
Tetrahedron Letters, 42(3), 365-368 (2001)

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