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CAS 1047724-34-4

:

2-[(5,7-Dimethyl-2-oxo-2H-1-benzopyran-3-yl)methylene]-4,4-dimethyl-3-oxopentanenitrile

Description:
2-[(5,7-Dimethyl-2-oxo-2H-1-benzopyran-3-yl)methylene]-4,4-dimethyl-3-oxopentanenitrile is a complex organic compound characterized by its unique structural features, which include a benzopyran moiety and a nitrile functional group. The presence of the benzopyran structure suggests potential applications in pharmaceuticals, particularly in the development of compounds with antioxidant or anti-inflammatory properties. The compound's molecular framework includes multiple carbonyl groups, indicating potential reactivity and interactions in various chemical environments. Its dimethyl substitutions may enhance lipophilicity, influencing its solubility and bioavailability. Additionally, the nitrile group can participate in nucleophilic reactions, making it a versatile intermediate in organic synthesis. The compound's specific properties, such as melting point, boiling point, and spectral characteristics, would require empirical measurement or detailed computational analysis for precise characterization. Overall, this compound exemplifies the complexity and diversity of organic molecules, with potential implications in medicinal chemistry and material science.
Formula:C19H19NO3
InChI:InChI=1S/C19H19NO3/c1-11-6-12(2)15-9-13(18(22)23-16(15)7-11)8-14(10-20)17(21)19(3,4)5/h6-9H,1-5H3
InChI key:InChIKey=DZXXTNVJVRNJGW-UHFFFAOYSA-N
SMILES:CC1=C2C(OC(=O)C(C=C(C(C(C)(C)C)=O)C#N)=C2)=CC(C)=C1
Synonyms:
  • Pentanenitrile, 2-[(5,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)methylene]-4,4-dimethyl-3-oxo-
  • 2-[(5,7-Dimethyl-2-oxo-2H-1-benzopyran-3-yl)methylene]-4,4-dimethyl-3-oxopentanenitrile
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