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3-(1-Cyanoethyl)benzoic acid
Weight175.187 g/mol
FormulaC10H9NO2
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds2

3-(1-Cyanoethyl)benzoic acid (5537-71-3)

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Alternate Names

  • SMILES
    CC(C#N)C1=CC=CC(=C1)C(=O)O
  • InChIKey
    IRYIYPWRXROPSX-UHFFFAOYSA-N

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Synthesis

benzoic acid  +  2-Chloropropionitrile (Friedel-Crafts alkylation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 3-(1-Cyanoethyl)benzoic acid ›

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