CAS 1142199-16-3

3-(Chloromethyl)-4-[(3-methoxyphenyl)methylene]-5(4H)-isoxazolone

Description:

3-(Chloromethyl)-4-[(3-methoxyphenyl)methylene]-5(4H)-isoxazolone is a synthetic organic compound characterized by its isoxazolone core, which features a chloromethyl group and a methoxyphenyl substituent. The presence of the chloromethyl group suggests potential reactivity, making it useful in various chemical transformations. The methylene bridge connecting the phenyl group to the isoxazolone structure indicates that it may exhibit unique electronic properties, potentially influencing its reactivity and interactions with biological targets. This compound may possess applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with biological systems. Additionally, the methoxy group can enhance lipophilicity and influence solubility, which are critical factors in drug design. Overall, the compound's unique structural characteristics suggest it may have interesting chemical behavior and potential applications in various fields, including organic synthesis and medicinal chemistry. However, specific biological activities and safety profiles would require further investigation through empirical studies.

Formula: C₁₂H₁₀ClNO₃

InChI: InChI=1S/C12H10ClNO3/c1-16-9-4-2-3-8(5-9)6-10-11(7-13)14-17-12(10)15/h2-6H,7H2,1H3

InChI key: InChIKey=GRBOJZFCLPOVOZ-UHFFFAOYSA-N

SMILES: C(=C1C(CCl)=NOC1=O)C2=CC(OC)=CC=C2

Synonyms:

• 5(4H)-Isoxazolone, 3-(chloromethyl)-4-[(3-methoxyphenyl)methylene]-
• 3-(Chloromethyl)-4-[(3-methoxyphenyl)methylene]-5(4H)-isoxazolone