CAS 1142199-42-5

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

Description:

3-(Chloromethyl)-4-[(3-methylphenyl)methylene]-5(4H)-isoxazolone is a synthetic organic compound characterized by its unique isoxazolone structure, which features a five-membered ring containing both nitrogen and oxygen atoms. The presence of a chloromethyl group indicates a reactive site that can participate in further chemical reactions, making it useful in various synthetic applications. The compound also contains a methylene bridge connecting a 3-methylphenyl group, which contributes to its aromatic properties and may influence its solubility and reactivity. Isoxazolones are known for their biological activity, and this particular compound may exhibit potential pharmacological properties, although specific biological data would need to be referenced for detailed insights. Its molecular structure suggests it could be involved in various chemical reactions, including nucleophilic substitutions and cycloadditions. As with many organic compounds, safety data and handling precautions should be considered, particularly due to the presence of the chloromethyl group, which can pose hazards.

Formula: C₁₂H₁₀ClNO₂

InChI: InChI=1S/C12H10ClNO2/c1-8-3-2-4-9(5-8)6-10-11(7-13)14-16-12(10)15/h2-6H,7H2,1H3

InChI key: InChIKey=RZTKBSNJTMBFQS-UHFFFAOYSA-N

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

Synonyms:

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