CAS 1020569-94-1

4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-, ethyl ester

Description:

4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-, ethyl ester, identified by CAS number 1020569-94-1, is a chemical compound characterized by its isoxazole core, which is a five-membered heterocyclic ring containing both nitrogen and oxygen. This compound features a cyclopropyl group, contributing to its unique structural properties and potential biological activity. The presence of a 3,5-dichloro-4-pyridinyl moiety suggests that it may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. As an ethyl ester, it is likely to possess moderate lipophilicity, which can influence its absorption and distribution in biological systems. The compound's functional groups may also confer acidity, affecting its reactivity and solubility in various solvents. Overall, this substance may be explored for its potential applications in pharmaceuticals or agrochemicals, although specific biological activities and safety profiles would require further investigation through empirical studies.

Formula: C₁₄H₁₂Cl₂N₂O₃

InChI: InChI=1S/C14H12Cl2N2O3/c1-2-20-14(19)11-12(18-21-13(11)7-3-4-7)10-8(15)5-17-6-9(10)16/h5-7H,2-4H2,1H3

InChI key: InChIKey=PUYSIVFTVLBVQM-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(=NOC1C2CC2)C=3C(Cl)=CN=CC3Cl

Synonyms:

• 4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-, ethyl ester
• Ethyl 5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)isoxazole-4-carboxylate