Description

Methanesulfonic acid, 1,1,1-trifluoro-, 1,1′-[1,1′-biphenyl]-2,2′-diyl ester (CAS No. 17763-95-0) is a high-purity, specialized organic compound with the molecular formula C₁₄H₈F₆O₆S₂. This compound, also known by its IUPAC name [2-[2-(trifluoromethylsulfonyloxy)phenyl]phenyl] trifluoromethanesulfonate, features a biphenyl core functionalized with two trifluoromethanesulfonate (triflate) groups at the 2 and 2′ positions. It is a valuable reagent for advanced organic synthesis, particularly in cross-coupling reactions, catalysis, and as a precursor for complex molecular architectures. The presence of triflate groups enhances its reactivity as a leaving group, making it indispensable in palladium-catalyzed transformations and other metal-mediated processes. Suitable for research and industrial applications, this compound is rigorously tested for purity and stability, ensuring consistent performance in demanding chemical environments.

Properties

• CAS Number: 17763-95-0
• Complexity: 670
• IUPAC Name: [2-[2-(trifluoromethylsulfonyloxy)phenyl]phenyl] trifluoromethanesulfonate
• InChI: InChI=1S/C14H8F6O6S2/c15-13(16,17)27(21,22)25-11-7-3-1-5-9(11)10-6-2-4-8-12(10)26-28(23,24)14(18,19)20/h1-8H
• InChI Key: VAEJFEYIJHDWKE-UHFFFAOYSA-N
• Exact Mass: 449.96664929
• Molecular Formula: C14H8F6O6S2
• Molecular Weight: 450.3
• SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Topological: 104
• Monoisotopic Mass: 449.96664929
• Synonyms: 17763-95-0, Methanesulfonic acid, 1,1,1-trifluoro-, 1,1′-[1,1′-biphenyl]-2,2′-diyl ester, Methanesulfonic acid, 1,1,1-trifluoro-, 1,1′-(1,1′-biphenyl)-2,2′-diyl ester, 2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-biphenyl, 2,2/’-BIS(TRIFLUOROMETHANESULFONYLOXY)-1,1/’-BIPHENYL, [2-[2-(trifluoromethylsulfonyloxy)phenyl]phenyl] trifluoromethanesulfonate, SCHEMBL7023211, VAEJFEYIJHDWKE-UHFFFAOYSA-N, DTXSID401141148, MFCD00799480, 2,2-Bis(trifluoromethanesulfonyloxy)-1,1-biphenyl,99%(1,1-biphenolbistriflate), CS-0107510, H41753, [1,1′-BIPHENYL]-2,2′-DIYL BIS(TRIFLUOROMETHANESULFONATE), Methanesulfonic acid, 1,1,1-trifluoro-, 1,1a(2)-[1,1a(2)-biphenyl]-2,2a(2)-diyl ester

Application

This compound is primarily used as a versatile intermediate in organic synthesis, particularly in palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Stille couplings. Its triflate groups serve as excellent leaving groups, enabling efficient formation of carbon-carbon and carbon-heteroatom bonds. Researchers also employ it in the development of pharmaceuticals, agrochemicals, and advanced materials due to its high reactivity and selectivity. Additionally, it finds utility in catalytic systems and as a precursor for synthesizing complex biphenyl derivatives.

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