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CAS 898778-97-7

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4-[3-(1,3-Dioxolan-2-yl)benzoyl]benzonitrile

Description:
4-[3-(1,3-Dioxolan-2-yl)benzoyl]benzonitrile, with the CAS number 898778-97-7, is an organic compound characterized by its complex structure that includes a benzoyl group and a dioxolane moiety. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for pi-stacking interactions due to its conjugated system. The presence of the dioxolane ring suggests it may have polar characteristics, which could influence its solubility in various solvents. Additionally, the nitrile functional group contributes to its reactivity, particularly in nucleophilic addition reactions. This compound may be of interest in pharmaceutical and materials science research due to its potential biological activity and utility in synthesizing other chemical entities. Its specific properties, such as melting point, boiling point, and solubility, would depend on the conditions and purity of the sample. Overall, 4-[3-(1,3-Dioxolan-2-yl)benzoyl]benzonitrile represents a versatile structure in organic chemistry with potential applications in various fields.
Formula:C17H13NO3
InChI:InChI=1S/C17H13NO3/c18-11-12-4-6-13(7-5-12)16(19)14-2-1-3-15(10-14)17-20-8-9-21-17/h1-7,10,17H,8-9H2
InChI key:InChIKey=MFOYLUGQFKIJJW-UHFFFAOYSA-N
SMILES:C(=O)(C=1C=C(C=CC1)C2OCCO2)C3=CC=C(C#N)C=C3
Synonyms:
  • 4-[3-(1,3-Dioxolan-2-yl)benzoyl]benzonitrile
  • Benzonitrile, 4-[3-(1,3-dioxolan-2-yl)benzoyl]-
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