CAS 72164-96-6

6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde 3-oxime

Description:

6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde 3-oxime, with the CAS number 72164-96-6, 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. The presence of a methyl group at the 6-position and an oxime functional group at the 3-position contributes to its unique reactivity and potential applications. The aldehyde functional group at the 3-position enhances its electrophilic character, making it useful in various organic synthesis reactions. Additionally, the oxime group can participate in further chemical transformations, such as condensation reactions. This compound may exhibit biological activity, which is often explored in medicinal chemistry, particularly for its potential as a lead compound in drug development. Its solubility, stability, and reactivity can vary based on the solvent and conditions used, making it important to consider these factors in practical applications.

Formula: C₁₁H₉NO₃

InChI: InChI=1S/C11H9NO3/c1-7-2-3-10-9(4-7)11(13)8(5-12-14)6-15-10/h2-6,14H,1H3

InChI key: InChIKey=ZMADWYYNFSUAMK-UHFFFAOYSA-N

SMILES: O=C1C=2C(OC=C1C=NO)=CC=C(C)C2

Synonyms:

• 4H-1-Benzopyran-3-carboxaldehyde, 6-methyl-4-oxo-, 3-oxime
• 6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde 3-oxime
• 3-[(Hydroxyimino)methyl]-6-methyl-4H-chromen-4-one