CAS 865659-02-5

Benzoic acid, 4-methyl-, 5-[[(4-methylbenzoyl)oxy]methyl]-4-oxo-4H-pyran-2-yl ester

Description:

Benzoic acid, 4-methyl-, 5-[[(4-methylbenzoyl)oxy]methyl]-4-oxo-4H-pyran-2-yl ester, identified by CAS number 865659-02-5, is a complex organic compound characterized by its ester functional group and a pyran ring structure. This compound features a benzoic acid moiety with a methyl group at the para position, contributing to its hydrophobic characteristics. The presence of the pyran ring indicates potential reactivity and stability under various conditions, while the ester linkage suggests it may participate in hydrolysis reactions. The compound's structure implies it may exhibit biological activity, potentially serving as a precursor or intermediate in synthetic pathways. Its solubility properties are likely influenced by the balance of hydrophilic and hydrophobic groups, making it relevant in pharmaceutical and chemical research. Additionally, the presence of multiple functional groups may allow for diverse interactions in biological systems, warranting further investigation into its potential applications and effects.

Formula: C₂₂H₁₈O₆

InChI: InChI=1S/C22H18O6/c1-14-3-7-16(8-4-14)21(24)27-13-18-12-26-20(11-19(18)23)28-22(25)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3

InChI key: InChIKey=BSCOBRGOBIRLQC-UHFFFAOYSA-N

SMILES: O(C(=O)C1=CC=C(C)C=C1)C2=CC(=O)C(COC(=O)C3=CC=C(C)C=C3)=CO2