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CS-W001157 4
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Ethyl 2-(1H-pyrazol-3-yl)acetate

  • CAS No. 82668-50-6

  • Cat. No. CS-0054104
  • Molecule weight154.17
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Ethyl 2-(1H-pyrazol-3-yl)acetate|CS-0054104

Structure of 82668-50-6

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General Information

  • CAS No. 82668-50-6
  • Cat. No. CS-0054104
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₂
  • Molecular Weight 154.17
  • Synonym(s) Ethyl 2-(3-Pyrazolyl)acetate
  • SMILES O=C(OCC)CC1=NNC=C1

Description

Ethyl 2-(1H-pyrazol-3-yl)acetate serves as a versatile synthetic intermediate for pyrazole-based heterocycles. This bench-stable ester features a reactive α-carbon adjacent to the pyrazole ring, enabling efficient functionalization via alkylation, condensation, or transition-metal-catalyzed coupling. The electron-rich pyrazole moiety enhances reactivity in C–H activation and cycloaddition processes.

Application

Ethyl 2-(1H-pyrazol-3-yl)acetate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrazole-substituted scaffolds via standard functional group manipulations. Its ethyl ester moiety facilitates nucleophilic acyl substitution and reduction reactions, while the adjacent pyrazole ring provides robust stability and orthogonal reactivity. This compound functions effectively in cross-coupling protocols and serves as a key intermediate in the construction of bioactive heterocycles relevant to medicinal chemistry research.

Synthesis

  • Route1
    • null|null
      64-17-5
    • In-stock
      3-Pyrazolylacetic acid|CS-D0159
      102732-63-8
    • ~95%
    • In-stock
      Ethyl 2-(1H-pyrazol-3-yl)acetate|CS-0054104
      82668-50-6

    References

    • WO2013/164321 A1, ; Page/Page column 39 ;
  • Route2
    • 2-(1h-Pyrazol-3-yl)acetohydrazide|CS-0217211
      144677-14-5
    • ~%
    • In-stock
      Ethyl 2-(1H-pyrazol-3-yl)acetate|CS-0054104
      82668-50-6

    References

    • WO2013/164321 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   0.5153
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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