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CAS 113858-92-7

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Ethyl 5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate

Description:
Ethyl 5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate, with the CAS number 113858-92-7, is a chemical compound that belongs to the class of pyridine derivatives. This substance features a pyridine ring substituted with various functional groups, including a cyano group and a thioxo moiety, which contribute to its unique chemical properties. The presence of the ethyl ester group enhances its solubility in organic solvents, making it useful in various synthetic applications. The compound may exhibit biological activity, potentially serving as a lead compound in pharmaceutical research. Its structural characteristics suggest that it could participate in various chemical reactions, including nucleophilic substitutions and cycloadditions, due to the reactivity of the cyano and thioxo groups. Additionally, the compound's stability and reactivity can be influenced by the electronic effects of the phenyl group and the overall molecular conformation. As with many pyridine derivatives, it may also display interesting optical and electronic properties, making it a subject of interest in materials science and medicinal chemistry.
Formula:C15H12N2O2S
InChI:InChI=1S/C15H12N2O2S/c1-2-19-15(18)12-8-11(9-16)14(20)17-13(12)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,17,20)
InChI key:InChIKey=QOLNBYNAHJUQKG-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(NC(=S)C(C#N)=C1)C2=CC=CC=C2
Synonyms:
  • Ethyl 5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate
  • 3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-phenyl-6-thioxo-, ethyl ester
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