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CS-W001157 4
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Ethyl 3-methyl-1H-pyrazole-4-carboxylate

  • CAS No. 85290-78-4

  • Cat. No. CS-W013290
  • Purity≥97%
  • MDL No.MFCD00233457

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

Ethyl 3-methyl-1H-pyrazole-4-carboxylate|CS-W013290

Structure of 85290-78-4

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General Information

  • CAS No. 85290-78-4
  • Cat. No. CS-W013290
  • Purity ≥97%
  • MDL No. MFCD00233457
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₂
  • Molecular Weight 154.17
  • Synonym(s) Ethyl-3-Methyl-1H-Pyrazole-4-Carboxylate
  • SMILES O=C(C1=CNN=C1C)OCC

Description

Ethyl 3-methyl-1H-pyrazole-4-carboxylate features a bench-stable pyrazole core with a methyl group at the 3-position and an ethyl ester at the 4-position. This electron-deficient heterocycle integrates readily into synthetic sequences, serving as a key building block for functionalized pyrazoles in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 40, p. 566
  • Route2
    • null|null
      64-17-5
    • In-stock
      3-Methyl-1H-pyrazole-4-carboxylic acid|CS-D0839
      40704-11-8
    • ~81%
    • In-stock
      Ethyl 3-methyl-1H-pyrazole-4-carboxylate|CS-W013290
      85290-78-4

    References

    • Toledo, Miguel A.; Pedregal, Concepcion; Lafuente, Celia; Diaz, Nuria; Martinez-Grau, Maria Angeles; Jimenez, Alma; Benito, Ana; Torrado, Alicia; Mateos, Carlos; Joshi, Elizabeth M.; Kahl, Steven D.; Rash, Karen S.; Mudra, Daniel R.; Barth, Vanessa N.; Shaw, David B.; McKinzie, David; Witkin, Jeffrey M.; Statnick, Michael A. Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3418 - 3429
  • Route3
    • Ethyl (2E)-2-(Ethoxymethylidene)-3-oxobutanoate|CS-0784902
      49836-24-0
    • ~82%
    • In-stock
      Ethyl 3-methyl-1H-pyrazole-4-carboxylate|CS-W013290
      85290-78-4

    References

    • Huppatz Australian Journal of Chemistry, 1983 , vol. 36, # 1 p. 135 - 147

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   0.89482
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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