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

  • CAS No. 21230-43-3

  • Cat. No. CS-0043790
  • Purity≥97%
  • MDL No.MFCD00101268

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

Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate|CS-0043790

Structure of 21230-43-3

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General Information

  • CAS No. 21230-43-3
  • Cat. No. CS-0043790
  • Purity ≥97%
  • MDL No. MFCD00101268
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁N₃O₂
  • Molecular Weight 169.18
  • Synonym(s) PYRAZOLE-4-CARBOXYLIC ACID, 3-AMINO-1-METHYL-, ETHYL ESTER
  • SMILES O=C(C1=CN(C)N=C1N)OCC

Description

Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate features a pyrazole core with complementary amine and ester functionalities, enabling direct incorporation into diverse heterocyclic scaffolds. This bench-stable derivative supports efficient synthesis of bioactive molecules through modular coupling reactions.

Application

Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based scaffolds. Its amino and ester functionalities offer orthogonal reactivity for derivatization via amidation, acylation, or coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API development and heterocyclic library construction.

Synthesis

  • Route1
    • In-stock
      (E)-Ethyl 2-cyano-3-ethoxyacrylate|CS-0023511
      42466-67-1
    • null|null
      38327-03-6
    • ~%
    • In-stock
      Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate|CS-0043790
      21230-43-3

    References

    • US2007/281949 A1, ; Page/Page column 89 ;
  • Route2
    • null|null
      1329991-48-1
    • ~%
    • In-stock
      Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate|CS-0043790
      21230-43-3

    References

    • WO2011/100838 A1, ; Page/Page column 46 ;
  • Route3
    • Ethyl 2-cyano-3-[1-methyl-2-(phenylmethylene)hydrazinyl]-2-propenoate|CS-0651448
      21303-67-3
    • ~%
    • In-stock
      Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate|CS-0043790
      21230-43-3

    References

    • Helvetica Chimica Acta, , vol. 42, p. 349,358

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   70.14
  • LogP   0.179
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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