CAS 1281872-32-9

Phenylmethyl 3-methyl-9-oxo-9H-xanthene-2-carboxylate

Description:

Phenylmethyl 3-methyl-9-oxo-9H-xanthene-2-carboxylate, identified by its CAS number 1281872-32-9, is a chemical compound that belongs to the xanthene class of compounds, which are characterized by a fused ring structure containing oxygen. This particular compound features a phenylmethyl group and a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of the 9-oxo group indicates that it has a carbonyl functionality, which can participate in various chemical reactions, including nucleophilic additions. The methyl group at the 3-position may influence the compound's steric and electronic properties, potentially affecting its reactivity and interactions with other molecules. Such compounds are often studied for their applications in organic synthesis, fluorescence, and as potential dyes or indicators due to their conjugated systems. Overall, the characteristics of this compound suggest it may have interesting chemical behavior and potential applications in various fields, including materials science and medicinal chemistry.

Formula: C₂₂H₁₆O₄

InChI: InChI=1S/C22H16O4/c1-14-11-20-18(21(23)16-9-5-6-10-19(16)26-20)12-17(14)22(24)25-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3

InChI key: InChIKey=NIHUNFHWAMEVHQ-UHFFFAOYSA-N

SMILES: O=C1C=2C(OC=3C1=CC=CC3)=CC(C)=C(C(OCC4=CC=CC=C4)=O)C2

Synonyms:

• 9H-Xanthene-2-carboxylic acid, 3-methyl-9-oxo-, phenylmethyl ester
• Phenylmethyl 3-methyl-9-oxo-9H-xanthene-2-carboxylate