Description

3,4-Dihydronaphthalen-1-yl Trifluoromethanesulfonate (CAS No. 123994-49-0) is a high-purity organic sulfonate ester with the molecular formula C₁₁H₉F₃O₃S. This compound is widely utilized in advanced organic synthesis, particularly as a versatile electrophile or leaving group in cross-coupling reactions, nucleophilic substitutions, and other transformations. Its trifluoromethanesulfonate (triflate) group enhances reactivity, making it a valuable intermediate for pharmaceuticals, agrochemicals, and materials science research. The product is supplied as a clear to pale-yellow liquid or solid, depending on storage conditions, and should be handled under inert atmosphere to prevent degradation. Purity is guaranteed ≥95% by HPLC/GC analysis, with detailed technical data available upon request.

Properties

• CAS Number: 123994-49-0
• Complexity: 433
• IUPAC Name: 3,4-dihydronaphthalen-1-yl trifluoromethanesulfonate
• InChI: InChI=1S/C11H9F3O3S/c12-11(13,14)18(15,16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6-7H,3,5H2
• InChI Key: VQPPJULGDKMUML-UHFFFAOYSA-N
• Exact Mass: 278.02244980
• Molecular Formula: C11H9F3O3S
• Molecular Weight: 278.25
• SMILES: C1CC2=CC=CC=C2C(=C1)OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 278.02244980
• Synonyms: 123994-49-0, Methanesulfonic acid, trifluoro-, 3,4-dihydro-1-naphthalenyl ester, DTXSID70450194, DTXCID60401014, 3,4-dihydronaphthalen-1-yl trifluoromethanesulfonate, Trifluoro-methanesulfonic acid 3,4-dihydro-naphthalen-1-yl ester, Methanesulfonic acid, 1,1,1-trifluoro-, 3,4-dihydro-1-naphthalenyl ester, SCHEMBL5104747, HS-7521, SB32110, 3,4-Dihydro-1-naphthyl trifluoromethanesulfonate, 1,2-dihydronaphthalen-4-yl trifluoromethanesulfonate, 3,4-dihydro-naphthalen-1-yltrifluoromethanesulfonate, 3,4-dihydro-1-(trifluoromethylsulfonyloxy)naphthalene, 3,4-dihydro-naphthalen-1-yl trifluoromethanesulfonate, 3,4-dihydronaphthalen-1-yl trifluo-romethanesulfonate

Application

This triflate ester is commonly employed in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck, or Stille couplings) due to its excellent leaving group properties. It serves as a key intermediate in the synthesis of complex pharmaceutical compounds and functionalized naphthalene derivatives. Researchers also utilize it for constructing electron-deficient aromatic systems in materials chemistry applications.

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