CAS 1268491-69-5

(Acetyloxy)methyl 3′-[(acetyloxy)methoxy]-3-oxo-6′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-6-carboxylate

Description:

The chemical substance known as "(Acetyloxy)methyl 3′-[(acetyloxy)methoxy]-3-oxo-6′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-6-carboxylate" with CAS number 1268491-69-5 is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as acetyloxy, methoxy, and a dioxaborolane moiety. This compound features a spiro linkage between an isobenzofuran and a xanthene derivative, contributing to its unique three-dimensional conformation. The presence of the dioxaborolane group suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions or as a reagent in organic synthesis. The compound's carboxylate functionality may also impart solubility in polar solvents and influence its reactivity. Overall, the structural complexity and functional diversity of this substance indicate potential utility in various fields, including medicinal chemistry and materials science, although specific applications would depend on further research and characterization.

Formula: C₃₃H₃₁BO₁₂

InChI: InChI=1S/C33H31BO12/c1-18(35)39-16-41-22-9-12-25-28(15-22)43-27-14-21(34-45-31(3,4)32(5,6)46-34)8-11-24(27)33(25)26-13-20(7-10-23(26)30(38)44-33)29(37)42-17-40-19(2)36/h7-15H,16-17H2,1-6H3

InChI key: InChIKey=DYRAQRKTJXRJKN-UHFFFAOYSA-N

SMILES: O=C1OC2(C=3C(OC=4C2=CC=C(OCOC(C)=O)C4)=CC(=CC3)B5OC(C)(C)C(C)(C)O5)C=6C1=CC=C(C(OCOC(C)=O)=O)C6

Synonyms:

• Spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-6-carboxylic acid, 3′-[(acetyloxy)methoxy]-3-oxo-6′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, (acetyloxy)methyl ester
• (Acetyloxy)methyl 3′-[(acetyloxy)methoxy]-3-oxo-6′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-6-carboxylate