Description

2-Acetylphenyl trifluoromethanesulfonate (CAS No. 129849-05-4) is a high-purity, specialized chemical reagent with the molecular formula C₉H₇F₃O₄S. This compound, also known by its IUPAC name (2-acetylphenyl) trifluoromethanesulfonate, is a versatile triflate ester derivative widely used in organic synthesis and pharmaceutical research. Its unique structure, featuring an acetyl group ortho to a highly reactive trifluoromethanesulfonate (triflate) group, makes it an excellent electrophile for coupling reactions and a precursor for complex molecular architectures. Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied in sealed, light-resistant containers under inert atmosphere to maintain stability. Ideal for palladium-catalyzed cross-coupling reactions, nucleophilic substitutions, and as a building block for advanced materials.

Properties

• CAS Number: 129849-05-4
• Complexity: 382
• IUPAC Name: (2-acetylphenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C9H7F3O4S/c1-6(13)7-4-2-3-5-8(7)16-17(14,15)9(10,11)12/h2-5H,1H3
• InChI Key: NMANWNFIUPECMF-UHFFFAOYSA-N
• Exact Mass: 268.00171436
• Molecular Formula: C9H7F3O4S
• Molecular Weight: 268.21
• SMILES: CC(=O)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F
• Topological: 68.8
• Monoisotopic Mass: 268.00171436
• Synonyms: 2-acetylphenyl trifluoromethanesulfonate, 129849-05-4, (2-acetylphenyl) trifluoromethanesulfonate, NMANWNFIUPECMF-UHFFFAOYSA-N, MFCD34186954, 2-Acetylphenyltrifluoromethanesulfonate, AKOS040767480, BS-52852, F71639

Application

2-Acetylphenyl trifluoromethanesulfonate serves as a key intermediate in Suzuki-Miyaura and Stille cross-coupling reactions for biaryl synthesis. It is particularly valuable in pharmaceutical research for constructing drug scaffolds with enhanced metabolic stability due to its triflate leaving group. The compound also finds use in materials science for developing liquid crystals and OLED precursors through its reactive acetyl and triflate functionalities.

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