CAS 884497-68-1

6-Chloro-3,4-dimethyl-7-(1-methyl-2-oxopropoxy)-2H-1-benzopyran-2-one

Description:

6-Chloro-3,4-dimethyl-7-(1-methyl-2-oxopropoxy)-2H-1-benzopyran-2-one, with the CAS number 884497-68-1, is a synthetic organic compound belonging to the class of benzopyran derivatives. This compound 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 chlorine atom at the 6-position and two methyl groups at the 3 and 4 positions enhances its lipophilicity and may influence its interaction with biological targets. The 7-position is substituted with a 1-methyl-2-oxopropoxy group, which can affect the compound's solubility and reactivity. Such modifications often lead to altered pharmacological properties, making it of interest in medicinal chemistry. The compound's structure suggests potential applications in drug development, particularly in areas related to anti-inflammatory or anticancer activities, although specific biological activities would require empirical investigation. As with many synthetic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₅H₁₅ClO₄

InChI: InChI=1S/C15H15ClO4/c1-7-8(2)15(18)20-13-6-14(12(16)5-11(7)13)19-10(4)9(3)17/h5-6,10H,1-4H3

InChI key: InChIKey=INZGFZXDDUKYND-UHFFFAOYSA-N

SMILES: CC=1C=2C(=CC(OC(C(C)=O)C)=C(Cl)C2)OC(=O)C1C

Synonyms:

• 2H-1-Benzopyran-2-one, 6-chloro-3,4-dimethyl-7-(1-methyl-2-oxopropoxy)-
• 6-Chloro-3,4-dimethyl-7-(1-methyl-2-oxopropoxy)-2H-1-benzopyran-2-one