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Benzoylacetonitrile
Weight145.161 g/mol
FormulaC9H7NO
Hydrogen Acceptors2
Hydrogen Donors0
Aromatic Rings1
Rotatable Bonds2

Benzoylacetonitrile (614-16-4)

3-oxo-3-phenylpropanenitrile  ·  3-O-3-phenylpropanenitrile

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Alternate Names

  • 3-oxo-3-phenylpropanenitrile
  • 3-O-3-phenylpropanenitrile
  • SMILES
    C1=CC=C(C=C1)C(=O)CC#N
  • InChIKey
    ZJRCIQAMTAINCB-UHFFFAOYSA-N

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Synthesis

benzene  +  2-cyanoacetyl Chloride (Friedel-Crafts acylation)
MALONONITRILE  +  CHLOROBENZENE (Grignard carbonyl)
3-Hydroxy-3-phenylpropanenitrile  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of Benzoylacetonitrile ›

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