Description

4-Formyl-2-methoxyphenyl trifluoromethanesulfonate (CAS No. 194018-68-3) is a high-purity triflate ester derivative of vanillin, designed for advanced synthetic applications in organic and medicinal chemistry. With the molecular formula C₉H₇F₃O₅S, this compound features a reactive formyl group and a methoxy substituent on the aromatic ring, making it a versatile electrophile for cross-coupling reactions, nucleophilic substitutions, and as a precursor for complex molecular scaffolds. Its trifluoromethanesulfonate (triflate) group enhances its leaving-group ability, enabling efficient participation in Pd-catalyzed transformations such as Suzuki, Heck, and Stille couplings. Ideal for researchers seeking to synthesize fluorinated or methoxy-substituted aromatic systems, this compound is rigorously tested for purity (typically ≥95% by HPLC or GC) and is supplied in sealed packaging under inert conditions to ensure stability. Store in a cool, dry place away from moisture and strong bases.

Properties

• CAS Number: 194018-68-3
• Complexity: 386
• IUPAC Name: (4-formyl-2-methoxy-phenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C9H7F3O5S/c1-16-8-4-6(5-13)2-3-7(8)17-18(14,15)9(10,11)12/h2-5H,1H3
• InChI Key: WOGOOQSLDWLHJK-UHFFFAOYSA-N
• Exact Mass: 283.99662898
• Molecular Formula: C9H7F3O5S
• Molecular Weight: 284.21
• SMILES: COC1=C(C=CC(=C1)C=O)OS(=O)(=O)C(F)(F)F
• Topological: 78.1
• Monoisotopic Mass: 283.99662898
• Synonyms: 4-formyl-2-methoxyphenyl trifluoromethanesulfonate, 194018-68-3, DTXSID50445169, DTXCID70395990, Vanillin-OTf, SCHEMBL145513, DB-123464, 3-Methoxy-4-trifluoromethanesulfonyloxy-benzaldehyde, 4-formyl-2-(methoxy)phenyl trifluoromethanesulfonate, 3-Methoxy-4-(trifluoromethanesulfonyloxy)benzaldehyde, trifluoromethanesulfonic acid 4-formyl-2-methoxyphenyl ester, trifluoro-methanesulfonic acid 4-formyl-2-methoxy-phenyl ester, Trifluoromethanesulfonic acid 4-formyl-2-methoxy-phenyl ester, trifluoromethanesulfonic acid-4-formyl-2-methoxy-phenyl ester

Application

4-Formyl-2-methoxyphenyl trifluoromethanesulfonate is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and functional materials. Its triflate group facilitates Pd-catalyzed cross-coupling reactions, enabling the construction of biaryl or heteroaryl structures. The formyl moiety allows further derivatization via condensation or reduction, making it valuable for scaffold diversification in drug discovery. Researchers also employ it in the preparation of fluorinated aromatic compounds for applications in materials science.

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