Description

4-Hydroxyphenyl trifluoromethanesulfonate (CAS No. 65109-80-0) is a high-purity, specialty chemical compound with the molecular formula C₇H₅F₃O₄S. This triflate derivative is widely utilized in organic synthesis, particularly as a versatile intermediate for the introduction of the trifluoromethanesulfonyl (triflyl) group. Its IUPAC name, (4-hydroxyphenyl) trifluoromethanesulfonate, reflects its structural composition, featuring a reactive hydroxyl group para to the triflate moiety. This compound is supplied as a crystalline solid with exceptional purity (>98%), ensuring optimal performance in sensitive reactions. Ideal for researchers in pharmaceuticals, agrochemicals, and material science, this product is rigorously tested via HPLC, NMR, and MS to guarantee consistency and reliability. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 65109-80-0
• Complexity: 297
• IUPAC Name: (4-hydroxyphenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H5F3O4S/c8-7(9,10)15(12,13)14-6-3-1-5(11)2-4-6/h1-4,11H
• InChI Key: SVGSEENZAYBGNA-UHFFFAOYSA-N
• Exact Mass: 241.98606430
• Molecular Formula: C7H5F3O4S
• Molecular Weight: 242.17
• SMILES: C1=CC(=CC=C1O)OS(=O)(=O)C(F)(F)F
• Topological: 72
• Monoisotopic Mass: 241.98606430
• Synonyms: 4-Hydroxyphenyl trifluoromethanesulfonate, 65109-80-0, DTXSID40517687, DTXCID90468493, SCHEMBL6935157, SVGSEENZAYBGNA-UHFFFAOYSA-N

Application

4-Hydroxyphenyl trifluoromethanesulfonate serves as a key reagent in palladium-catalyzed cross-coupling reactions, enabling the synthesis of biaryl ethers and complex aromatic systems. It is also employed in nucleophilic substitution reactions due to the excellent leaving-group properties of the triflate moiety. Researchers leverage its reactivity for modifying phenolic compounds in drug discovery and polymer chemistry applications.

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