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CAS 39528-62-6

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4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile

Description:
4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile, identified by its CAS number 39528-62-6, is an organic compound characterized by its unique structure that includes a nitrile functional group and a ketone moiety. This compound features a benzene ring substituted with a tert-butyl group, which contributes to its hydrophobic nature and influences its reactivity and solubility. The presence of the nitrile group (-C≡N) suggests potential applications in organic synthesis and as a building block in pharmaceuticals or agrochemicals. The β-oxobenzenepropanenitrile structure indicates that it may exhibit interesting chemical properties, such as the ability to participate in nucleophilic addition reactions or serve as a precursor for further functionalization. Additionally, the compound's stability and reactivity can be influenced by the steric hindrance introduced by the tert-butyl group. Overall, this compound's characteristics make it a subject of interest in various fields of chemical research and application.
Formula:C13H15NO
InChI:InChI=1S/C13H15NO/c1-13(2,3)11-6-4-10(5-7-11)12(15)8-9-14/h4-7H,8H2,1-3H3
InChI key:InChIKey=LKZFEKFWLCDIBF-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=CC=C(C(C)(C)C)C=C1
Synonyms:
  • (p-tert-Butylbenzoyl)acetonitrile
  • 3-(4-tert-Butylphenyl)-3-oxopropanenitrile
  • 4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile
  • Benzenepropanenitrile, 4-(1,1-dimethylethyl)-β-oxo-
  • 4-tert-Butylbenzoylacetonitrile
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