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Atomfair Methanesulfonic acid, trifluoro-, 3,4-dimethylphenyl ester 3,4-Dimethylphenyl triflate C9H9F3O3S

Description (3,4-Dimethylphenyl) Trifluoromethanesulfonate (CAS No. 255837-23-1) is a high-purity, organosulfur compound with the molecular formula C9H9F3O3S. This specialty chemical is widely utilized in organic synthesis, particularly as a versatile triflate ester intermediate for nucleophilic substitution and cross-coupling reactions. Its robust triflyl (OTf) group enhances reactivity in palladium-catalyzed transformations, making it invaluable for constructing complex molecular architectures. The 3,4-dimethylphenyl moiety further modulates steric and electronic properties, enabling selective functionalization. Supplied as a clear to pale-yellow liquid with >95% purity (GC), it is rigorously tested for consistency and stored under inert conditions to ensure stability. Ideal for pharmaceutical, agrochemical, and materials science…

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Description

Description

(3,4-Dimethylphenyl) Trifluoromethanesulfonate (CAS No. 255837-23-1) is a high-purity, organosulfur compound with the molecular formula C9H9F3O3S. This specialty chemical is widely utilized in organic synthesis, particularly as a versatile triflate ester intermediate for nucleophilic substitution and cross-coupling reactions. Its robust triflyl (OTf) group enhances reactivity in palladium-catalyzed transformations, making it invaluable for constructing complex molecular architectures. The 3,4-dimethylphenyl moiety further modulates steric and electronic properties, enabling selective functionalization. Supplied as a clear to pale-yellow liquid with >95% purity (GC), it is rigorously tested for consistency and stored under inert conditions to ensure stability. Ideal for pharmaceutical, agrochemical, and materials science research.

  • CAS No: 255837-23-1
  • Molecular Formula: C9H9F3O3S
  • Molecular Weight: 254.23
  • Exact Mass: 254.02244980
  • Monoisotopic Mass: 254.02244980
  • IUPAC Name: (3,4-dimethylphenyl) trifluoromethanesulfonate
  • SMILES: CC1=C(C=C(C=C1)OS(=O)(=O)C(F)(F)F)C
  • Synonyms: 255837-23-1, Methanesulfonic acid, trifluoro-, 3,4-dimethylphenyl ester, DTXSID70479906, DTXCID90430716, 3,4-dimethylphenyl trifluoromethanesulfonate

Application

This compound serves as a key electrophile in Suzuki-Miyaura and Stille cross-coupling reactions to form biaryl systems. It is particularly effective in synthesizing sterically hindered intermediates for drug discovery programs. The triflate group’s superior leaving ability also facilitates nucleophilic aromatic substitutions under mild conditions. Researchers employ it to develop liquid crystals and conductive polymers due to its stable anionic character.

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