Atomfair 5,6,7-Trifluoronaphthalen-2-yl trifluoromethanesulfonate C11H4F6O3S CAS 874817-32-0

Description

5,6,7-Trifluoronaphthalen-2-yl trifluoromethanesulfonate (CAS No. 874817-32-0) is a highly specialized fluorinated organic compound with the molecular formula C₁₁H₄F₆O₃S. This compound features a naphthalene core substituted with three fluorine atoms at the 5, 6, and 7 positions, coupled with a reactive trifluoromethanesulfonate (triflate) group at the 2-position. The triflate group is a well-known leaving group, making this compound a valuable intermediate in nucleophilic substitution reactions, cross-coupling chemistry, and other advanced synthetic transformations. Its high purity and stability under inert conditions ensure reliable performance in demanding research and industrial applications. Suitable for use in pharmaceutical development, materials science, and agrochemical research, this compound is available in rigorously controlled batches with detailed analytical certificates (including ¹H NMR, ¹³C NMR, and HPLC data). Store under inert atmosphere at recommended temperatures to maintain optimal stability.

Properties

• CAS Number: 874817-32-0
• Complexity: 473
• IUPAC Name: (5,6,7-trifluoro-2-naphthyl) trifluoromethanesulfonate
• InChI: InChI=1S/C11H4F6O3S/c12-8-4-5-3-6(20-21(18,19)11(15,16)17)1-2-7(5)9(13)10(8)14/h1-4H
• InChI Key: ADYIQWDYMXWBFF-UHFFFAOYSA-N
• Exact Mass: 329.97853413
• Molecular Formula: C11H4F6O3S
• Molecular Weight: 330.20
• SMILES: C1=CC2=C(C(=C(C=C2C=C1OS(=O)(=O)C(F)(F)F)F)F)F
• Topological: 51.8
• Monoisotopic Mass: 329.97853413
• Synonyms: 5,6,7-Trifluoronaphthalen-2-yl trifluoromethanesulfonate, 874817-32-0, SCHEMBL16210909, DTXSID90826453, 5,6,7-trifluoro-2-naphthyl trifluoromethanesulfonate, 5,6,7-trifluoro-naphthalen-2-yl trifluoromethanesulfonate

Application

5,6,7-Trifluoronaphthalen-2-yl trifluoromethanesulfonate is a versatile building block in organic synthesis, particularly for introducing fluorinated naphthalene motifs into complex molecules. It is widely used in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille, or Negishi couplings) to create advanced intermediates for pharmaceuticals and agrochemicals. The electron-withdrawing nature of the fluorine atoms enhances reactivity in aromatic substitution reactions, making it valuable for designing bioactive compounds or functional materials. Researchers also employ it in the development of liquid crystals, OLED materials, and other fluorinated specialty chemicals.

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