Description

2,3-Bis(trifluoromethylsulfonyloxy)naphthalene (CAS No. 125261-31-6) is a high-purity, specialized organic compound with the molecular formula C₁₂H₆F₆O₆S₂. This naphthalene derivative is functionalized with two trifluoromethylsulfonyloxy (triflate) groups at the 2- and 3-positions, making it a versatile electrophile and intermediate in advanced organic synthesis. Its IUPAC name is [3-(trifluoromethylsulfonyloxy)naphthalen-2-yl] trifluoromethanesulfonate. The compound is characterized by its excellent reactivity in cross-coupling reactions, polymerization initiations, and as a precursor for complex molecular architectures. Ideal for researchers in pharmaceuticals, materials science, and catalysis, this product is supplied with comprehensive analytical data (including ¹H NMR, ¹³C NMR, and HPLC) to ensure quality and consistency. Store under inert conditions to maintain stability.

Properties

• CAS Number: 125261-31-6
• Complexity: 640
• IUPAC Name: [3-(trifluoromethylsulfonyloxy)-2-naphthyl] trifluoromethanesulfonate
• InChI: InChI=1S/C12H6F6O6S2/c13-11(14,15)25(19,20)23-9-5-7-3-1-2-4-8(7)6-10(9)24-26(21,22)12(16,17)18/h1-6H
• InChI Key: FXSNAXDYVAKLJQ-UHFFFAOYSA-N
• Exact Mass: 423.95099923
• Molecular Formula: C12H6F6O6S2
• Molecular Weight: 424.3
• SMILES: C1=CC=C2C=C(C(=CC2=C1)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Topological: 104
• Monoisotopic Mass: 423.95099923
• Synonyms: 125261-31-6, Trifluoro-methanesulfonic acid 3-trifluoromethanesulfonyloxy-naphthalen-2-yl ester, Naphthalene-2,3-diyl bis(trifluoromethanesulfonate), 2,3-bis(trifluoromethylsulfonyloxy)naphthalene, FXSNAXDYVAKLJQ-UHFFFAOYSA-N

Application

2,3-Bis(trifluoromethylsulfonyloxy)naphthalene is widely used as a key intermediate in organic synthesis, particularly in palladium-catalyzed cross-coupling reactions to construct biaryl systems. Its triflate groups serve as excellent leaving groups, enabling efficient nucleophilic substitutions in the preparation of pharmaceuticals and agrochemicals. Additionally, this compound finds utility in materials science for the development of conductive polymers and advanced organic electronic materials. Researchers also employ it as a precursor for synthesizing functionalized naphthalene derivatives with tailored properties.

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