129946-88-9 | S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$19.00	$13.00
250mg	97%	in stock	$23.00	$17.00
1g	97%	in stock	$63.00	$45.00
5g	97%	in stock	$252.00	$177.00

Description

• Catalog Number: AA38431
• Chemical Name: S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
• CAS Number: 129946-88-9
• Molecular Formula: C14H8F6O3S2
• Molecular Weight: 402.3319
• MDL Number: MFCD00236132
• SMILES: FC(S(=O)(=O)[O-])(F)F.FC([S+]1c2ccccc2-c2c1cccc2)(F)F

Computed Properties

• Complexity: 412
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 9

Upstream Synthesis Route

The S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate is a valuable reagent in chemical synthesis, particularly in the field of organic chemistry. Its unique structure and properties make it a versatile tool for various synthetic transformations, including the formation of carbon-carbon and carbon-heteroatom bonds.This reagent is commonly used as a powerful electrophilic trifluoromethylating agent, enabling the introduction of the trifluoromethyl group into organic molecules. The trifluoromethyl group is known for its ability to modulate the physicochemical properties of organic compounds, such as enhancing lipophilicity, metabolic stability, and bioactivity.Additionally, S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate has been employed in the synthesis of pharmaceuticals, agrochemicals, and materials with unique properties. Its use in cross-coupling reactions, nucleophilic trifluoromethylation, and other transformations has been pivotal in the development of novel chemical entities with improved properties and potential applications in various industries.Overall, this reagent serves as a valuable tool for chemists seeking to access new chemical space and design molecules with enhanced properties for a wide range of applications.