483869

5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate

97%

• Empirical Formula (Hill Notation): C₁₃H₈BF₇S
• CAS Number: 131880-16-5
• Molecular Weight: 340.07
• MDL number: MFCD01073545
• PubChem Substance ID: 24871922
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• mp: 162-164 °C (lit.)
• SMILES string: F[B-](F)(F)F.FC(F)(F)[S+]1c2ccccc2-c3ccccc13
• InChI: 1S/C13H8F3S.BF4/c14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;2-1(3,4)5/h1-8H;/q+1;-1
• InChI key: VTVISWLINKWMQZ-UHFFFAOYSA-N

Description

Application

• Pd(II)-catalyzed trifluoromethylation
• Copper-catalyzed trifluoromethylation of aryl boronic acids using a Collidine as a trifluoromethylating reagent
• Pd-catalyzed electrophilic ortho-trifluoromethylation of arenes

Used in the stereoselective preparation of

• Trifluoromethyl-substituted alkenes via copper-catalyzed trifluoromethylation of terminal alkenes
• Trifluoromethyl-bearing quaternary carbon centers by Pd-catalyzed intramolecular decarboxylative allylation of α-trifluoromethyl β-keto esters

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves