5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate
5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate (CAS: 131880-16-5; Formula: C13H8BF7S) is a specialised organosulphur compound with a molecular weight of 340.07 g/mol. It serves as a valuable reagent in organic synthesis, particularly for introducing trifluoromethyl groups. Its utility spans palladium- and copper-catalyzed reactions, enabling the formation of complex trifluoromethyl-substituted organic molecules.
Palladium-Catalyzed Trifluoromethylation
This reagent is employed in Pd(II)-catalyzed reactions for the introduction of trifluoromethyl groups onto various organic substrates, facilitating complex molecular synthesis.
Copper-Catalyzed Trifluoromethylation
It acts as a trifluoromethylating agent in copper-catalyzed reactions, notably with aryl boronic acids, and in the stereoselective preparation of trifluoromethyl-substituted alkenes from terminal alkenes.
Electrophilic Trifluoromethylation of Arenes
The compound is utilised in Pd-catalyzed electrophilic ortho-trifluoromethylation of arenes, offering a route to specifically substituted aromatic compounds.
Synthesis of Trifluoromethyl-Bearing Quaternary Centers
It plays a role in Pd-catalyzed intramolecular decarboxylative allylation of α-trifluoromethyl β-keto esters, a method for constructing trifluoromethyl-bearing quaternary carbon centres.
| Molecular weight | 340.07 |
|---|---|
| Empirical formula | C13H8BF7S |
| Assay | 97% |
| Application | • Pd(II)-catalyzed trifluoromethylation1 • Copper-catalyzed trifluoromethylation of aryl boronic acids using a Collidine as a trifluoromethylating reagent2 • Pd-catalyzed electrophilic ortho-trifluoromethylation of arenes3 Used in the stereoselective preparation of • Trifluoromethyl-substituted alkenes via copper-catalyzed trifluoromethylation of terminal alkenes4 • Trifluoromethyl-bearing quaternary carbon centers by Pd-catalyzed intramolecular decarboxylative allylation of α-trifluoromethyl β-keto esters5 |
| Melting point | 162-164 °C(lit.) |
| Protective equipment | Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter |
|---|---|
| Water hazard class (WGK, DE) | 3 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate used for?
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5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate is used as a trifluoromethylating reagent in various palladium- and copper-catalyzed organic synthesis reactions, including the preparation of trifluoromethyl-substituted alkenes and quaternary carbon centres.
What are the CAS number and formula for this compound?
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The CAS number is 131880-16-5 and the empirical formula (Hill notation) is C13H8BF7S.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this compound at an assay of 97%. This product is intended for research and technical use and is not supplied as USP, BP, EP, or pharmacopoeia grade.
What safety precautions should be taken when handling this chemical?
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When handling 5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate, it is essential to wear eyeshields and gloves. A type N95 (US) or type P1 (EN143) respirator filter is also recommended. The material is classified as WGK 3 in Germany, indicating a high hazard to water.
How is this chemical typically packed and shipped?
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As a specialist global supplier, Tech Serve Solutions ensures appropriate packaging and export procedures for all its chemical products, adhering to international shipping regulations.
How can I request a sample or a quote for 5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate?
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To request a sample or a quote, please contact our sales team via the website or by phone, providing your details and the required quantity.
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