CAS 1142199-55-0

3-(Chloromethyl)-4-[(4-hydroxy-2-methoxyphenyl)methylene]-5(4H)-isoxazolone

Description:

3-(Chloromethyl)-4-[(4-hydroxy-2-methoxyphenyl)methylene]-5(4H)-isoxazolone, identified by its CAS number 1142199-55-0, is a synthetic organic compound characterized by its isoxazolone core, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features a chloromethyl group, which enhances its reactivity and potential for further chemical modifications. The presence of a methylene bridge connecting the isoxazolone to a substituted phenolic moiety indicates that it may exhibit interesting biological activities, possibly due to the influence of the hydroxy and methoxy groups on the aromatic ring. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Its reactivity, particularly due to the chloromethyl group, may allow for various substitution reactions, making it a versatile intermediate in organic synthesis. As with many synthetic compounds, safety and handling precautions should be observed, given the potential hazards associated with chlorinated compounds.

Formula: C₁₂H₁₀ClNO₄

InChI: InChI=1S/C12H10ClNO4/c1-17-11-5-8(15)3-2-7(11)4-9-10(6-13)14-18-12(9)16/h2-5,15H,6H2,1H3

InChI key: InChIKey=CWWOMHDYWCFIGZ-UHFFFAOYSA-N

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

Synonyms:

• 5(4H)-Isoxazolone, 3-(chloromethyl)-4-[(4-hydroxy-2-methoxyphenyl)methylene]-
• 3-(Chloromethyl)-4-[(4-hydroxy-2-methoxyphenyl)methylene]-5(4H)-isoxazolone
• (4E)-3-(chloromethyl)-4-(4-hydroxy-2-methoxybenzylidene)isoxazol-5(4H)-one