5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate (CAS: 129946-88-9; Formula: C14H8F6O3S2; MW: 402.33) is a specialized chemical reagent known for its utility in trifluoromethylation reactions. This compound acts as an electrophilic trifluoromethylating agent, finding application in organic synthesis for introducing the trifluoromethyl group into various molecular frameworks. Its applications include palladium-catalyzed reactions and use in ionic liquids.
- IUPAC
- S-(Trifluoromethyl)dibenzothiophenium triflate,S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
- Synonyms
- S-(Trifluoromethyl)dibenzothiophenium triflateS-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
Palladium-Catalyzed Trifluoromethylation
This reagent is employed in palladium(II)-catalyzed reactions for the efficient introduction of trifluoromethyl groups. It serves as a key component in synthetic strategies requiring the installation of CF3 moieties.
Electrophilic Trifluoromethylation in Ionic Liquids
5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate can be used for electrophilic trifluoromethylation reactions within ionic liquid media, offering an alternative reaction environment for specific synthetic targets.
Stereoselective Trifluoromethylalkyne Synthesis
In combination with a copper catalyst, this reagent is utilized in the stereoselective synthesis of trifluoromethylalkynes through the trifluoromethylation of terminal alkynes, following established methodologies.
| Molecular weight | 402.33 |
|---|---|
| Empirical formula | C14H8F6O3S2 |
| Assay | 97% |
| Application | • Pd(II)-catalyzed trifluoromethylation1 • Electrophilic trifluoromethylation in ionic liquids2• Used in the stereoselective preparation of trifluoromethylalkynes by trifluoromethylation of terminal alkynes using Umemoto′s reagent and a copper catalyst3,4 |
| Melting point | 150 °C(lit.) |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
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 trifluoromethanesulfonate used for?
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This compound is primarily used as an electrophilic trifluoromethylating agent in organic synthesis, notably in palladium-catalyzed reactions, reactions within ionic liquids, and the stereoselective synthesis of trifluoromethylalkynes.
What are the CAS number and formula for this compound?
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The CAS number is 129946-88-9, and the empirical formula (Hill notation) is C14H8F6O3S2.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this chemical with an assay of 97%. This product is not represented as USP, BP, or EP grade.
What are the safety and handling recommendations?
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This compound is classified as a Warning, with hazards including skin irritation (H315), serious eye irritation (H319), and respiratory irritation (H335). Appropriate personal protective equipment, including a dust mask (type N95), eyeshields, and gloves, should be used. Handle in a well-ventilated area.
How is this chemical packed, shipped, and exported?
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Products are carefully packed to ensure safe transit and are available for global export by Tech Serve Solutions, adhering to all relevant shipping regulations.
How can I request a sample or quote?
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To request a sample or a quotation for 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, please contact our sales department via the website or direct inquiry.
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