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3-(1-methyl-1H-pyrazol-4-yl)propanoic acid
Weight154.169 g/mol
FormulaC7H10N2O2
Hydrogen Acceptors3
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds3

3-(1-methyl-1H-pyrazol-4-yl)propanoic acid (796845-56-2)

796845-56-2

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Alternate Names

  • 796845-56-2
  • SMILES
    CN1C=C(C=N1)CCC(=O)O
  • InChIKey
    ZTSFRVGFCBTSDZ-UHFFFAOYSA-N

Estimated Properties

Boiling Point 254.57 C EPA T.E.S.T.
Boiling Point 293.02 C EPI Suite
Density 1.24 g/cm3 EPA T.E.S.T.
Flash Point 155.16 C EPA T.E.S.T.
Melting Point 96.16 C EPI Suite
Water Solubility 11533.7 mg/L EPA T.E.S.T.
Water Solubility 115880 mg/L EPI Suite

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Synthesis

1-Methylpyrazole  +  3-Chloropropanoic acid (Friedel-Crafts alkylation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 3-(1-methyl-1H-pyrazol-4-yl)propanoic acid ›

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