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CAS 28657-79-6

:

1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile

Description:
1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile, with the CAS number 28657-79-6, is a chemical compound characterized by its unique bicyclic structure that incorporates both dioxole and cinnoline moieties. This compound features a carbonitrile functional group, which contributes to its reactivity and potential applications in various chemical reactions. The presence of the ethyl group enhances its lipophilicity, potentially influencing its solubility and biological activity. The 1,4-dihydro-4-oxo configuration suggests that it may exhibit tautomeric behavior, which can affect its stability and reactivity. Additionally, the compound may possess interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its structural complexity and functional groups suggest potential applications in drug development, particularly in the synthesis of novel therapeutic agents. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C12H9N3O3
InChI:InChI=1S/C12H9N3O3/c1-2-15-9-4-11-10(17-6-18-11)3-7(9)12(16)8(5-13)14-15/h3-4H,2,6H2,1H3
InChI key:InChIKey=ZJNYDFMLLCPHFY-UHFFFAOYSA-N
SMILES:C(C)N1C2=C(C=C3C(=C2)OCO3)C(=O)C(C#N)=N1
Synonyms:
  • 1-Ethyl-3-cyano-6,7-methylenedioxy-4-cinnolone
  • 1-Ethyl-4-Oxo-1,4-Dihydro[1,3]Dioxolo[4,5-G]Cinnoline-3-Carbonitrile
  • 1-Ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile
  • [1,3]Dioxolo[4,5-g]cinnoline-3-carbonitrile, 1-ethyl-1,4-dihydro-4-oxo-
  • 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile
  • 1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carbonitrile
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