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CAS 1255098-68-0

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Ethyl 4-oxo-1-(4-pyridinyl)cyclohexanecarboxylate

Description:
Ethyl 4-oxo-1-(4-pyridinyl)cyclohexanecarboxylate, identified by its CAS number 1255098-68-0, is a chemical compound characterized by its unique structure that includes a cyclohexane ring, a pyridine moiety, and an ester functional group. This compound typically exhibits properties associated with both cyclic and aromatic systems, which may influence its reactivity and solubility. The presence of the carbonyl group (4-oxo) suggests potential for reactivity in nucleophilic addition reactions, while the ethyl ester group can participate in esterification and hydrolysis reactions. The pyridine ring contributes to the compound's polarity and may enhance its interaction with biological systems, making it of interest in medicinal chemistry. Additionally, the compound's molecular structure may impart specific stereochemical configurations, affecting its biological activity and pharmacokinetics. Overall, Ethyl 4-oxo-1-(4-pyridinyl)cyclohexanecarboxylate represents a versatile scaffold for further chemical modifications and potential applications in drug development.
Formula:C14H17NO3
InChI:InChI=1S/C14H17NO3/c1-2-18-13(17)14(7-3-12(16)4-8-14)11-5-9-15-10-6-11/h5-6,9-10H,2-4,7-8H2,1H3
InChI key:InChIKey=SOQPDLKNYMTIBJ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1(CCC(=O)CC1)C=2C=CN=CC2
Synonyms:
  • Ethyl 4-oxo-1-(4-pyridinyl)cyclohexanecarboxylate
  • Cyclohexanecarboxylic acid, 4-oxo-1-(4-pyridinyl)-, ethyl ester
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