CAS 1142199-72-1

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

Description:

3-(Chloromethyl)-4-[(4-hydroxyphenyl)methylene]-5(4H)-isoxazolone, identified by its CAS number 1142199-72-1, is a chemical compound that features a unique isoxazolone ring structure. This compound is characterized by the presence of a chloromethyl group, which enhances its reactivity and potential for further chemical modifications. The 4-hydroxyphenylmethylene moiety contributes to its aromatic properties, potentially influencing its solubility and interaction with biological systems. Isoxazolones are known for their diverse biological activities, including antimicrobial and anti-inflammatory properties, making this compound of interest in medicinal chemistry. The presence of both halogen and hydroxyl functional groups suggests that it may participate in various chemical reactions, such as nucleophilic substitutions or coupling reactions. Overall, this compound's structural features indicate potential applications in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation through experimental studies.

Formula: C₁₁H₈ClNO₃

InChI: InChI=1S/C11H8ClNO3/c12-6-10-9(11(15)16-13-10)5-7-1-3-8(14)4-2-7/h1-5,14H,6H2

InChI key: InChIKey=NRXWYEXYHHJRFQ-UHFFFAOYSA-N

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

Synonyms:

• 3-Chloromethyl-4-(4-hydroxy-benzylidene)-4H-isoxazol-5-one
• 3-(Chloromethyl)-4-[(4-hydroxyphenyl)methylene]-5(4H)-isoxazolone
• 5(4H)-Isoxazolone, 3-(chloromethyl)-4-[(4-hydroxyphenyl)methylene]-