Description

(2-Phenylphenyl) trifluoromethanesulfonate (CAS No. 17763-65-4) is a high-purity organosulfur compound with the molecular formula C₁₃H₉F₃O₃S. This specialized reagent, commonly referred to as biphenyl triflate, is a valuable triflate ester derivative used in advanced organic synthesis and catalytic reactions. The compound features a reactive trifluoromethanesulfonate (triflate) group bonded to a sterically hindered biphenyl scaffold, making it an excellent electrophile for cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig aminations. Supplied as a crystalline solid or solution (upon request), it is rigorously tested for purity (typically ≥97% by HPLC) and stored under inert conditions to ensure stability. Ideal for pharmaceutical intermediates, ligand design, and materials science research.

Properties

• CAS Number: 17763-65-4
• Complexity: 408
• IUPAC Name: (2-phenylphenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C13H9F3O3S/c14-13(15,16)20(17,18)19-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
• InChI Key: RKXHGAAXTVZDNE-UHFFFAOYSA-N
• Exact Mass: 302.02244980
• Molecular Formula: C13H9F3O3S
• Molecular Weight: 302.27
• SMILES: C1=CC=C(C=C1)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 302.02244980
• Synonyms: 17763-65-4, Methanesulfonic acid, trifluoro-, [1,1′-biphenyl]-2-yl ester, biphenyl triflate, SCHEMBL367003, DTXSID80447818, RKXHGAAXTVZDNE-UHFFFAOYSA-N, [1,1′-biphenyl]-2-yl trifluoromethanesulfonate

Application

This compound serves as a key electrophilic coupling partner in palladium-catalyzed cross-coupling reactions for constructing biaryl systems in drug discovery. Its triflate group acts as a superior leaving group in nucleophilic aromatic substitutions, enabling efficient C–N and C–C bond formations. Researchers also utilize it to synthesize sterically demanding ligands for asymmetric catalysis.

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