Description

3-Oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-3′,6′-diyl bis(trifluoromethanesulfonate) (CAS: 1195931-66-8) is a highly specialized trifluoromethanesulfonate ester derivative of fluorescein, designed for advanced synthetic and analytical applications. With the molecular formula C₂₂H₁₀F₆O₉S₂, this compound features a spirocyclic xanthene core functionalized with two reactive triflate (trifluoromethanesulfonate) groups, enhancing its utility in nucleophilic substitution reactions and as a precursor for fluorescent probes. Its high purity (>95%) and stability under inert conditions make it ideal for controlled organic synthesis, particularly in the development of dyes, sensors, and photoactive materials. Packaged under argon to prevent degradation, this product is tailored for researchers requiring precision in photochemistry, materials science, and molecular labeling.

Properties

• CAS Number: 1195931-66-8
• Complexity: 1100
• IUPAC Name: [3-oxo-6′-(trifluoromethylsulfonyloxy)spiro[isobenzofuran-1,9′-xanthene]-3′-yl] trifluoromethanesulfonate
• InChI: InChI=1S/C22H10F6O9S2/c23-21(24,25)38(30,31)36-11-5-7-15-17(9-11)34-18-10-12(37-39(32,33)22(26,27)28)6-8-16(18)20(15)14-4-2-1-3-13(14)19(29)35-20/h1-10H
• InChI Key: PLBLHRSNJXRAJK-UHFFFAOYSA-N
• Exact Mass: 595.96704321
• Molecular Formula: C22H10F6O9S2
• Molecular Weight: 596.4
• SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)OS(=O)(=O)C(F)(F)F)OC5=C3C=CC(=C5)OS(=O)(=O)C(F)(F)F
• Topological: 139
• Monoisotopic Mass: 595.96704321
• Synonyms: 1195931-66-8, 3-Oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-3′,6′-diyl bis(trifluoromethanesulfonate), MFCD31706256, Fluorescein Bis(trifluoromethanesulfonate), [3-oxo-6′-(trifluoromethylsulfonyloxy)spiro[2-benzofuran-1,9′-xanthene]-3′-yl] trifluoromethanesulfonate, SCHEMBL28503884, AKOS037647569, AS-74119, BP-41786, SY126590, CS-0047491, F1275, W13333, 3-Oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-3′,6′-diylbis(trifluoromethanesulfonate), 3-Oxo-3H-spiro[isobenzofuran-1,9 inverted exclamation mark -xanthene]-3 inverted exclamation mark ,6 inverted exclamation mark -diyl Bis(trifluoromethanesulfonate), 3-oxo-6′-(trifluoromethanesulfonyloxy)-3H-spiro[2-benzofuran-1,9′-xanthen]-3′-yl trifluoromethanesulfonate

Application

This compound serves as a key intermediate in the synthesis of fluorescein-based derivatives for fluorescent labeling and sensor development. Its triflate groups enable efficient coupling reactions in the preparation of advanced optical materials. Researchers utilize it in photoaffinity labeling and as a precursor for functionalized xanthene dyes in bioimaging applications.

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