CAS 1142199-46-9

3-(Chloromethyl)-4-[(2,4,5-trimethoxyphenyl)methylene]-5(4H)-isoxazolone

Description:

3-(Chloromethyl)-4-[(2,4,5-trimethoxyphenyl)methylene]-5(4H)-isoxazolone is a synthetic organic compound characterized by its isoxazolone core, which features a chloromethyl group and a substituted phenyl moiety. The presence of the chloromethyl group suggests potential reactivity, making it a useful intermediate in organic synthesis. The compound's structure includes multiple methoxy groups on the phenyl ring, which can influence its electronic properties and solubility, potentially enhancing its biological activity. Isoxazolones are known for their diverse applications, including in pharmaceuticals and agrochemicals, due to their ability to interact with various biological targets. The specific arrangement of substituents in this compound may contribute to its unique chemical behavior, including its stability, reactivity, and potential for forming hydrogen bonds. Overall, this compound exemplifies the complexity and versatility of synthetic organic molecules, particularly in the context of medicinal chemistry and material science.

Formula: C₁₄H₁₄ClNO₅

InChI: InChI=1S/C14H14ClNO5/c1-18-11-6-13(20-3)12(19-2)5-8(11)4-9-10(7-15)16-21-14(9)17/h4-6H,7H2,1-3H3

InChI key: InChIKey=LKEYWXPZFSKGMJ-UHFFFAOYSA-N

SMILES: C(C1=C(OC)C=C(OC)C(OC)=C1)=C2C(CCl)=NOC2=O

Synonyms:

• 3-(Chloromethyl)-4-[(2,4,5-trimethoxyphenyl)methylene]-5(4H)-isoxazolone
• 5(4H)-Isoxazolone, 3-(chloromethyl)-4-[(2,4,5-trimethoxyphenyl)methylene]-