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CAS 898756-78-0

:

3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]benzonitrile

Description:
3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]benzonitrile, with the CAS number 898756-78-0, is a synthetic organic compound characterized by its complex structure, which includes a benzonitrile moiety and a dioxane ring. The presence of the dioxan-2-yl group suggests that the compound may exhibit unique solubility and stability properties, potentially making it useful in various chemical applications. The nitrile functional group indicates that it may participate in nucleophilic reactions, while the ketone functionality (from the oxopentyl group) can also engage in various chemical transformations. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential biological activity. Its specific characteristics, such as melting point, boiling point, and solubility, would require empirical determination through experimental methods. Overall, the structural features of this compound suggest it could have diverse applications in organic synthesis and drug development.
Formula:C18H23NO3
InChI:InChI=1/C18H23NO3/c1-18(2)12-21-17(22-13-18)9-4-3-8-16(20)15-7-5-6-14(10-15)11-19/h5-7,10,17H,3-4,8-9,12-13H2,1-2H3
InChI key:InChIKey=GHYAOWUJSMPQQW-UHFFFAOYSA-N
SMILES:C(CCCCC1OCC(C)(C)CO1)(=O)C2=CC(C#N)=CC=C2
Synonyms:
  • Benzonitrile, 3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]-
  • 3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]benzonitrile
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