CAS 1119450-54-2

Ethyl 5-amino-3-(3,4-dimethoxyphenyl)-4-isoxazolecarboxylate

Description:

Ethyl 5-amino-3-(3,4-dimethoxyphenyl)-4-isoxazolecarboxylate is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of the amino group enhances its potential for biological activity, making it of interest in medicinal chemistry. The 3-(3,4-dimethoxyphenyl) substituent indicates the presence of a phenyl ring with two methoxy groups, which can influence the compound's electronic properties and steric hindrance, potentially affecting its interaction with biological targets. The overall structure suggests that it may exhibit properties such as anti-inflammatory or analgesic effects, although specific biological activities would require empirical investigation. Additionally, the compound's molecular weight, melting point, and solubility characteristics would be relevant for practical applications, including formulation in pharmaceuticals or research settings. As with many organic compounds, safety data and handling precautions should be considered when working with this substance.

Formula: C₁₄H₁₆N₂O₅

InChI: InChI=1S/C14H16N2O5/c1-4-20-14(17)11-12(16-21-13(11)15)8-5-6-9(18-2)10(7-8)19-3/h5-7H,4,15H2,1-3H3

InChI key: InChIKey=ZLOCURQSXNLTJH-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(=NOC1N)C2=CC(OC)=C(OC)C=C2

Synonyms:

• Ethyl 5-amino-3-(3,4-dimethoxyphenyl)-4-isoxazolecarboxylate
• 4-Isoxazolecarboxylic acid, 5-amino-3-(3,4-dimethoxyphenyl)-, ethyl ester