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CAS 100616-10-2

:

Ethyl 3-cyano-1,2-dihydro-6-(2-methylpropyl)-2-oxo-4-pyridinecarboxylate

Description:
Ethyl 3-cyano-1,2-dihydro-6-(2-methylpropyl)-2-oxo-4-pyridinecarboxylate, identified by its CAS number 100616-10-2, is a chemical compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. This compound features a cyano group (-CN) and an ester functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the ethyl ester indicates that it can undergo hydrolysis to form the corresponding carboxylic acid. The 2-oxo group suggests that it may exhibit keto-enol tautomerism, which can influence its chemical behavior. Additionally, the branched alkyl substituent (2-methylpropyl) may affect its solubility and steric hindrance, impacting its interactions in various chemical environments. Overall, this compound may be of interest in medicinal chemistry and synthetic organic chemistry due to its unique structural features and potential biological activity.
Formula:C13H16N2O3
InChI:InChI=1S/C13H16N2O3/c1-4-18-13(17)10-6-9(5-8(2)3)15-12(16)11(10)7-14/h6,8H,4-5H2,1-3H3,(H,15,16)
InChI key:InChIKey=FIUANZMYYAKNAE-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C#N)C(=O)NC(CC(C)C)=C1
Synonyms:
  • 4-Pyridinecarboxylic acid, 3-cyano-1,2-dihydro-6-(2-methylpropyl)-2-oxo-, ethyl ester
  • Ethyl 3-cyano-6-isobutyl-2-oxo-1,2-dihydropyridine-4-carboxylate
  • Ethyl 3-cyano-1,2-dihydro-6-(2-methylpropyl)-2-oxo-4-pyridinecarboxylate
  • Isonicotinic acid, 3-cyano-1,2-dihydro-6-isobutyl-2-oxo-, ethyl ester
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