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3-(3,5-dimethylisoxazol-4-yl)propanoic acid
Weight169.18 g/mol
FormulaC8H11NO3
Hydrogen Acceptors3
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds3

3-(3,5-dimethylisoxazol-4-yl)propanoic acid (116423-07-5)

116423-07-5

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Alternate Names

  • 116423-07-5
  • SMILES
    CC1=C(C(=NO1)C)CCC(=O)O
  • InChIKey
    KSKLKJYVYVPIFW-UHFFFAOYSA-N

Estimated Properties

Boiling Point 248.26 C EPA T.E.S.T.
Boiling Point 293.99 C EPI Suite
Density 1.16 g/cm3 EPA T.E.S.T.
Flash Point 129.53 C EPA T.E.S.T.
Melting Point 98.42 C EPI Suite
Water Solubility 7546.81 mg/L EPA T.E.S.T.
Water Solubility 16413 mg/L EPI Suite

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Synthesis

3,5-Dimethylisoxazole  +  3-Chloropropanoic acid (Friedel-Crafts alkylation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 3-(3,5-dimethylisoxazol-4-yl)propanoic acid ›

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