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CAS 1820686-51-8

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Ethyl 5-[4-(ethoxycarbonyl)phenyl]-3-isoxazolecarboxylate

Description:
Ethyl 5-[4-(ethoxycarbonyl)phenyl]-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 an ethyl ester functional group, contributing to its solubility and reactivity. The presence of the ethoxycarbonyl group indicates that it has an ester linkage, which can influence its chemical behavior, particularly in reactions involving nucleophiles. The phenyl group attached to the isoxazole enhances its aromatic character and may affect its electronic properties, potentially making it useful in various applications, including pharmaceuticals and agrochemicals. Additionally, the compound's structure suggests potential for biological activity, as many isoxazole derivatives are known for their pharmacological properties. Its molecular interactions, stability, and reactivity can be influenced by factors such as pH and solvent polarity. Overall, this compound represents a unique combination of functional groups that may be explored for various synthetic and medicinal chemistry applications.
Formula:C15H15NO5
InChI:InChI=1S/C15H15NO5/c1-3-19-14(17)11-7-5-10(6-8-11)13-9-12(16-21-13)15(18)20-4-2/h5-9H,3-4H2,1-2H3
InChI key:InChIKey=SCOVHUHETCHRMG-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=C(ON1)C2=CC=C(C(OCC)=O)C=C2
Synonyms:
  • Ethyl 5-[4-(ethoxycarbonyl)phenyl]-3-isoxazolecarboxylate
  • 3-Isoxazolecarboxylic acid, 5-[4-(ethoxycarbonyl)phenyl]-, ethyl ester
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