CAS 72304-22-4

Methyl 6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-acetate

Description:

Methyl 6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-acetate, with the CAS number 72304-22-4, is a chemical compound that belongs to the class of flavonoids, specifically a type of coumarin derivative. This compound features a benzopyran structure, characterized by a fused benzene and pyran ring, which contributes to its aromatic properties. The presence of a chloro group at the 6-position and a hydroxy group at the 7-position enhances its reactivity and potential biological activity. The acetyl group at the 4-position, along with the methyl ester functionality, suggests that it may exhibit lipophilic characteristics, influencing its solubility and permeability in biological systems. Methyl 6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-acetate may possess various pharmacological properties, including antioxidant and anti-inflammatory activities, making it of interest in medicinal chemistry and natural product research. Its structural features and functional groups are critical for its interaction with biological targets, which can lead to diverse applications in pharmaceuticals and agrochemicals.

Formula: C₁₂H₉ClO₅

InChI: InChI=1S/C12H9ClO5/c1-17-11(15)2-6-3-12(16)18-10-5-9(14)8(13)4-7(6)10/h3-5,14H,2H2,1H3

InChI key: InChIKey=MORRRYNOGWBERD-UHFFFAOYSA-N

SMILES: C(C(OC)=O)C=1C=2C(=CC(O)=C(Cl)C2)OC(=O)C1