CAS 41029-45-2

2-Propen-1-yl 1,1,1-trifluoromethanesulfonate

Description:

2-Propen-1-yl 1,1,1-trifluoromethanesulfonate, also known as trifluoromethanesulfonic acid 2-propenyl ester, is an organofluorine compound characterized by its trifluoromethyl group and sulfonate functional group. This compound typically appears as a colorless to pale yellow liquid and is known for its reactivity, particularly in nucleophilic substitution reactions due to the presence of the sulfonate group. It is soluble in organic solvents and can participate in various chemical reactions, making it useful in organic synthesis, particularly in the formation of carbon-carbon bonds. The trifluoromethyl group enhances the electrophilicity of the molecule, making it a valuable intermediate in the synthesis of fluorinated compounds. However, it is important to handle this substance with care, as it may pose health and environmental risks, including potential toxicity and reactivity with water. Proper safety measures should be taken when working with this compound in laboratory settings.

Formula: C₄H₅F₃O₃S

InChI: InChI=1S/C4H5F3O3S/c1-2-3-10-11(8,9)4(5,6)7/h2H,1,3H2

InChI key: InChIKey=XAWVLWQXWMTMGJ-UHFFFAOYSA-N

SMILES: S(C(F)(F)F)(OCC=C)(=O)=O

Synonyms:

• Allyl triflate
• Methanesulfonic acid, trifluoro-, 2-propenyl ester
• Methanesulfonic acid, 1,1,1-trifluoro-, 2-propen-1-yl ester
• Allyl trifluoromethanesulfonate
• 2-Propen-1-yl 1,1,1-trifluoromethanesulfonate