CAS 890646-76-1

Methyl 3,4-dihydro-3,7-dimethyl-1-oxo-1H-2-benzopyran-3-carboxylate

Description:

Methyl 3,4-dihydro-3,7-dimethyl-1-oxo-1H-2-benzopyran-3-carboxylate, with the CAS number 890646-76-1, is a chemical compound that belongs to the class of benzopyran derivatives. This substance features a benzopyran core, which is characterized by a fused benzene and pyran ring structure, contributing to its potential biological activity. The presence of a carboxylate group indicates that it can participate in various chemical reactions, including esterification and nucleophilic substitutions. The methyl groups at the 3 and 7 positions suggest that the compound may exhibit specific steric and electronic properties, potentially influencing its reactivity and interaction with biological targets. Additionally, the carbonyl group (oxo) at the 1-position enhances its electrophilic character, making it a candidate for further chemical transformations. While specific biological activities or applications may not be widely documented, compounds of this type are often investigated for their potential pharmacological properties, including anti-inflammatory or antioxidant effects. As with any chemical substance, proper handling and safety precautions should be observed.

Formula: C₁₃H₁₄O₄

InChI: InChI=1S/C13H14O4/c1-8-4-5-9-7-13(2,12(15)16-3)17-11(14)10(9)6-8/h4-6H,7H2,1-3H3

InChI key: InChIKey=CQSLYJQKAFISLC-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1(C)CC=2C(C(=O)O1)=CC(C)=CC2

Synonyms:

• Methyl 3,4-dihydro-3,7-dimethyl-1-oxo-1H-2-benzopyran-3-carboxylate
• 1H-2-Benzopyran-3-carboxylic acid, 3,4-dihydro-3,7-dimethyl-1-oxo-, methyl ester