Description

(2-Formyl-6-methoxyphenyl) trifluoromethanesulfonate (CAS No. 137898-13-6) is a highly specialized chemical reagent with the molecular formula C₉H₇F₃O₅S. This compound is characterized by its trifluoromethanesulfonate (triflate) ester group attached to a 2-formyl-6-methoxyphenyl moiety, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 284.21 g/mol, it is typically supplied as a high-purity solid or solution, ensuring optimal performance in sensitive reactions. Its unique structure enables applications in cross-coupling reactions, nucleophilic substitutions, and as a precursor for advanced heterocyclic compounds. Store under inert conditions at recommended temperatures to maintain stability.

Properties

• CAS Number: 137898-13-6
• Complexity: 386
• IUPAC Name: (2-formyl-6-methoxy-phenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C9H7F3O5S/c1-16-7-4-2-3-6(5-13)8(7)17-18(14,15)9(10,11)12/h2-5H,1H3
• InChI Key: VYFPCFITTXMPKA-UHFFFAOYSA-N
• Exact Mass: 283.99662898
• Molecular Formula: C9H7F3O5S
• Molecular Weight: 284.21
• SMILES: COC1=CC=CC(=C1OS(=O)(=O)C(F)(F)F)C=O
• Topological: 78.1
• Monoisotopic Mass: 283.99662898
• Synonyms: 137898-13-6, Methanesulfonic acid, trifluoro-, 2-formyl-6-methoxyphenyl ester, DTXSID30441184, DTXCID30392006, 2-formyl-6-methoxyphenyl trifluoromethanesulfonate, Methanesulfonic acid, 1,1,1-trifluoro-, 2-formyl-6-methoxyphenyl ester, (2-formyl-6-methoxyphenyl) trifluoromethanesulfonate, SCHEMBL3230461, H42150, 2-trifluoromethylsulphonyloxy-3methoxybenzaldehyde

Application

This compound serves as a versatile triflate ester intermediate in organic synthesis, particularly in palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Heck couplings. Its electron-withdrawing triflate group enhances reactivity in nucleophilic aromatic substitutions, making it valuable for constructing complex aromatic systems. Researchers also utilize it in the synthesis of pharmaceutical intermediates and agrochemicals due to its ability to introduce formyl and methoxy functional groups regioselectively.

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