Description

Methyl 2-trifluoromethanesulfonyloxybenzoate (CAS No. 17763-70-1) is a high-purity, specialty chemical compound with the molecular formula C₉H₇F₃O₅S. This trifluoromethanesulfonate ester derivative of methyl salicylate is widely utilized in organic synthesis, particularly as an intermediate in pharmaceuticals, agrochemicals, and advanced material research. Its IUPAC name is methyl 2-(trifluoromethylsulfonyloxy)benzoate, and it is characterized by its reactive triflyloxy group, which enables efficient coupling and functionalization reactions. The compound is supplied as a crystalline solid or solution, with stringent QC protocols ensuring >98% purity (HPLC/GC). Store under inert conditions at 2-8°C to maintain stability. Suitable for use in Suzuki-Miyaura cross-couplings, nucleophilic substitutions, and as a precursor for bioactive molecules. Available in research (1g-100g) and bulk quantities (kg-scale) with custom packaging options.

Properties

• CAS Number: 17763-70-1
• Complexity: 397
• IUPAC Name: methyl 2-(trifluoromethylsulfonyloxy)benzoate
• InChI: InChI=1S/C9H7F3O5S/c1-16-8(13)6-4-2-3-5-7(6)17-18(14,15)9(10,11)12/h2-5H,1H3
• InChI Key: HKJHWFNGDUGGAJ-UHFFFAOYSA-N
• Exact Mass: 283.99662898
• Molecular Formula: C9H7F3O5S
• Molecular Weight: 284.21
• SMILES: COC(=O)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F
• Topological: 78.1
• Monoisotopic Mass: 283.99662898
• Synonyms: 17763-70-1, methyl 2-trifluoromethanesulfonyloxybenzoate, DTXSID10451867, DTXCID00402686, Benzoic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester, Methyl 2-(trifluoromethylsulfonyloxy)benzoate, methyl 2-(((trifluoromethyl)sulfonyl)oxy)benzoate, methyl 2-(trifluoromethanesulfonyloxy)benzoate, SCHEMBL4442981, SCHEMBL6201405, MFCD30602848, 2-(trifluoromethylsulphonyloxy)-benzoic acid, methyl ester

Application

Methyl 2-trifluoromethanesulfonyloxybenzoate serves as a versatile triflating reagent in palladium-catalyzed cross-coupling reactions to construct biaryl systems. It is employed in the synthesis of liquid crystal materials due to its ability to introduce rigid aromatic motifs. Researchers also utilize this compound as a protected intermediate in multistep pharmaceutical syntheses, particularly for NSAID derivatives.

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