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CAS 898778-19-3

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3-[[5-(1,3-Dioxolan-2-yl)-2-thienyl]carbonyl]benzonitrile

Description:
3-[[5-(1,3-Dioxolan-2-yl)-2-thienyl]carbonyl]benzonitrile, identified by its CAS number 898778-19-3, is a synthetic organic compound characterized by its complex molecular structure. This substance features a benzonitrile moiety, which is a benzene ring substituted with a cyano group, contributing to its potential applications in pharmaceuticals and organic synthesis. The presence of a dioxolane ring indicates that it has a cyclic ether structure, which can influence its reactivity and solubility. Additionally, the thienyl group, derived from thiophene, introduces heteroatoms into the structure, potentially enhancing its electronic properties. The compound's unique arrangement of functional groups suggests it may exhibit interesting biological activities, making it a candidate for further research in medicinal chemistry. Its stability, solubility, and reactivity would depend on the specific conditions and solvents used in experiments. Overall, this compound exemplifies the diverse chemistry of heterocyclic compounds and their potential utility in various chemical applications.
Formula:C15H11NO3S
InChI:InChI=1S/C15H11NO3S/c16-9-10-2-1-3-11(8-10)14(17)12-4-5-13(20-12)15-18-6-7-19-15/h1-5,8,15H,6-7H2
InChI key:InChIKey=KFFVHASQMJBHMR-UHFFFAOYSA-N
SMILES:C(=O)(C=1SC(=CC1)C2OCCO2)C3=CC(C#N)=CC=C3
Synonyms:
  • 3-[[5-(1,3-Dioxolan-2-yl)-2-thienyl]carbonyl]benzonitrile
  • Benzonitrile, 3-[[5-(1,3-dioxolan-2-yl)-2-thienyl]carbonyl]-
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