CAS 1142198-93-3

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

Description:

3-(Chloromethyl)-4-[(4-chlorophenyl)methylene]-5(4H)-isoxazolone, identified by its CAS number 1142198-93-3, is a synthetic organic compound characterized by its isoxazolone structure, which features a five-membered ring containing both nitrogen and oxygen atoms. This compound typically exhibits a yellow to brownish color and is soluble in organic solvents, reflecting its hydrophobic nature. The presence of the chloromethyl and 4-chlorophenyl groups contributes to its reactivity and potential applications in medicinal chemistry, particularly as an intermediate in the synthesis of pharmaceuticals or agrochemicals. The chlorinated aromatic moiety may enhance biological activity or facilitate interactions with biological targets. Additionally, the isoxazolone framework is known for its ability to participate in various chemical reactions, including nucleophilic substitutions and cycloadditions. Safety data should be consulted for handling, as chlorinated compounds can pose health risks, including toxicity and environmental concerns. Overall, this compound represents a versatile structure with potential utility in various chemical applications.

Formula: C₁₁H₇Cl₂NO₂

InChI: InChI=1S/C11H7Cl2NO2/c12-6-10-9(11(15)16-14-10)5-7-1-3-8(13)4-2-7/h1-5H,6H2

InChI key: InChIKey=ZNOXAKLCODEEQV-UHFFFAOYSA-N

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

Synonyms:

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