Description

(2,6-Dimethylphenyl) Trifluoromethanesulfonate (CAS No. 86364-02-5) is a high-purity organosulfur compound with the molecular formula C₉H₉F₃O₃S. This specialty chemical is widely utilized as a versatile reagent in organic synthesis, particularly as a robust triflate ester for introducing the triflyl (Tf) group in electrophilic reactions. Its sterically hindered 2,6-dimethylphenyl moiety enhances stability while maintaining reactivity, making it ideal for demanding synthetic applications. Suitable for researchers and industrial chemists, this product is rigorously tested for consistency and purity, ensuring optimal performance in coupling reactions, catalysis, and polymer chemistry. Packaged under inert conditions to prevent degradation, it is an essential tool for advanced chemical research and pharmaceutical development.

Properties

• CAS Number: 86364-02-5
• Complexity: 321
• IUPAC Name: (2,6-dimethylphenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C9H9F3O3S/c1-6-4-3-5-7(2)8(6)15-16(13,14)9(10,11)12/h3-5H,1-2H3
• InChI Key: ALJAHPWNRXXSSU-UHFFFAOYSA-N
• Exact Mass: 254.02244980
• Molecular Formula: C9H9F3O3S
• Molecular Weight: 254.23
• SMILES: CC1=C(C(=CC=C1)C)OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 254.02244980
• Synonyms: Methanesulfonic acid, trifluoro-, 2,6-dimethylphenyl ester, 86364-02-5, DTXSID40453117, DTXCID00403936, 2,6-dimethylphenyl trifluoromethanesulfonate, SCHEMBL1132630, ALJAHPWNRXXSSU-UHFFFAOYSA-N

Application

This compound serves as a key triflating agent in organic synthesis, enabling the introduction of the trifluoromethanesulfonyl group into target molecules. It is particularly valuable in palladium-catalyzed cross-coupling reactions and as a precursor for electrophilic aromatic substitutions. Researchers also employ it in the development of advanced materials and specialty polymers requiring sulfonate functionalities.

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