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N-(2,6-dimethylphenyl)-3-oxobutanamide
Weight205.257 g/mol
FormulaC12H15NO2
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds3

N-(2,6-dimethylphenyl)-3-oxobutanamide (52793-02-9)

52793-02-9

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Alternate Names

  • 52793-02-9
  • SMILES
    CC1=C(C(=CC=C1)C)NC(=O)CC(=O)C
  • InChIKey
    NDVRDNPIOIFXSL-UHFFFAOYSA-N

Estimated Properties

Boiling Point 325.91 C EPA T.E.S.T.
Boiling Point 375.01 C EPI Suite
Density 1.08 g/cm3 EPA T.E.S.T.
Flash Point 160.83 C EPA T.E.S.T.
Melting Point 137.64 C EPI Suite
Water Solubility 213.98 mg/L EPA T.E.S.T.
Water Solubility 3327.9 mg/L EPI Suite

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Synthesis

3-OXOBUTANOYL CHLORIDE  +  2,6-Dimethylaniline (Schotten-Baumann amide from acid)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of N-(2,6-dimethylphenyl)-3-oxobutanamide ›

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