CAS 95312-28-0

Methyl 5-(chloromethyl)-3-isoxazolecarboxylate

Description:

Methyl 5-(chloromethyl)-3-isoxazolecarboxylate is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This substance features a chloromethyl group, which enhances its reactivity and potential for further chemical modifications. The presence of the carboxylate functional group indicates that it can participate in various chemical reactions, such as esterification or nucleophilic substitution. Methyl 5-(chloromethyl)-3-isoxazolecarboxylate is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its properties, such as solubility and stability, can vary depending on the solvent and environmental conditions. Safety data should be consulted to understand its handling and potential hazards, as the chloromethyl group can be associated with toxicity. Overall, this compound exemplifies the diverse chemistry of isoxazole derivatives and their applications in synthetic organic chemistry.

Formula: C₆H₆ClNO₃

InChI: InChI=1S/C6H6ClNO3/c1-10-6(9)5-2-4(3-7)11-8-5/h2H,3H2,1H3

InChI key: InChIKey=XKRDWMCHQQJHKV-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(CCl)ON1

Synonyms:

• 3-Isoxazolecarboxylic acid, 5-(chloromethyl)-, methyl ester
• Methyl 5-(chloromethyl)-3-isoxazolecarboxylate