CAS 1243415-10-2

5-[4-(Chloromethyl)phenyl]-3-methyl-4-isoxazolecarboxylic acid

Description:

5-[4-(Chloromethyl)phenyl]-3-methyl-4-isoxazolecarboxylic acid is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features a carboxylic acid functional group, contributing to its acidic properties and potential reactivity in various chemical reactions. The presence of a chloromethyl group on the phenyl ring enhances its electrophilic character, making it suitable for further functionalization. The methyl group at the 3-position of the isoxazole ring can influence the compound's solubility and biological activity. This compound may exhibit interesting pharmacological properties, making it a candidate for research in medicinal chemistry. Its structural features suggest potential applications in drug development, particularly in targeting specific biological pathways. As with many organic compounds, its stability, solubility, and reactivity can be influenced by environmental conditions such as pH and temperature. Proper handling and storage are essential to maintain its integrity for experimental use.

Formula: C₁₂H₁₀ClNO₃

InChI: InChI=1S/C12H10ClNO3/c1-7-10(12(15)16)11(17-14-7)9-4-2-8(6-13)3-5-9/h2-5H,6H2,1H3,(H,15,16)

InChI key: InChIKey=JVJVXXMFTFTUDP-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(ON=C1C)C2=CC=C(CCl)C=C2

Synonyms:

• 4-Isoxazolecarboxylic acid, 5-[4-(chloromethyl)phenyl]-3-methyl-
• 5-[4-(Chloromethyl)phenyl]-3-methyl-4-isoxazolecarboxylic acid

4-Isoxazolecarboxylic acid, 5-[4-(chloromethyl)phenyl]-3-methyl-

CAS: 1243415-10-2

Formula: C₁₂H₁₀ClNO₃

Molecular weight: 251.6657

Ref: IN-DA000LVJ