CAS 1221723-90-5

Methyl 5-(1-methylethyl)-2H-1-benzopyran-8-carboxylate

Description:

Methyl 5-(1-methylethyl)-2H-1-benzopyran-8-carboxylate, identified by its CAS number 1221723-90-5, is an organic compound belonging to the class of benzopyran derivatives. This substance features a benzopyran core, which is a fused ring structure comprising a benzene ring and a pyran ring, contributing to its aromatic properties. The presence of a carboxylate group indicates that it can participate in various chemical reactions, including esterification and hydrolysis. The isopropyl group (1-methylethyl) attached to the benzopyran structure enhances its hydrophobic characteristics, potentially influencing its solubility in organic solvents. Methyl esters like this compound are often studied for their biological activities, including potential antioxidant and anti-inflammatory properties. Additionally, the compound's structural features may allow for interactions with biological targets, making it of interest in medicinal chemistry. Overall, Methyl 5-(1-methylethyl)-2H-1-benzopyran-8-carboxylate exemplifies the complexity and versatility of organic compounds in both synthetic and natural product chemistry.

Formula: C₁₄H₁₆O₃

InChI: InChI=1S/C14H16O3/c1-9(2)10-6-7-12(14(15)16-3)13-11(10)5-4-8-17-13/h4-7,9H,8H2,1-3H3

InChI key: InChIKey=KCMDAEYTZVMEEX-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C2C(=C(C(C)C)C=C1)C=CCO2

Synonyms:

• Methyl 5-(1-methylethyl)-2H-1-benzopyran-8-carboxylate
• 2H-1-Benzopyran-8-carboxylic acid, 5-(1-methylethyl)-, methyl ester