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

  • CAS No. 17827-61-1

  • Cat. No. CS-0044505
  • Purity≥97%
  • MDL No.MFCD04967358

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

Methyl 1-methyl-1H-pyrazole-3-carboxylate|CS-0044505

Structure of 17827-61-1

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General Information

  • CAS No. 17827-61-1
  • Cat. No. CS-0044505
  • Purity ≥97%
  • MDL No. MFCD04967358
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₂
  • Molecular Weight 140.14
  • Synonym(s) Methyl 1-Methylpyrazole-3-carboxylate
  • SMILES O=C(C1=NN(C)C=C1)OC

Description

Methyl 1-methyl-1H-pyrazole-3-carboxylate features a pyrazole core with strategically positioned methyl and ester groups, enabling facile integration into diverse heterocyclic architectures. This bench-stable, moisture-tolerant reagent facilitates efficient coupling reactions in medicinal chemistry and agrochemical synthesis.

Application

Methyl 1-methyl-1H-pyrazole-3-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrazole-based pharmacophores. Its methyl ester group facilitates straightforward derivatization via hydrolysis or nucleophilic substitution, while the 1-methylpyrazole core exhibits excellent bench stability and compatibility with diverse reaction conditions. This compound functions effectively in cross-coupling reactions and heterocyclic scaffold elaboration, offering reliable access to bioactive molecules through established synthetic pathways.

Synthesis

  • Route1
    • null|null
      186581-53-3
    • In-stock
      Methyl 1H-pyrazole-3-carboxylate|CS-W008807
      15366-34-4
    • ~71%
    • In-stock
      Methyl 1-methyl-1H-pyrazole-3-carboxylate|CS-0044505
      17827-61-1

    References

    • Canadian Journal of Chemistry, , vol. 72, # 12 p. 2458 - 2467
  • Route2
    • null|null
      67-56-1
    • In-stock
      1-Methyl-1H-pyrazole-3-carboxylic acid|CS-D1728
      25016-20-0
    • ~83%
    • In-stock
      Methyl 1-methyl-1H-pyrazole-3-carboxylate|CS-0044505
      17827-61-1

    References

    • Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 29, # 5 p. 778 - 784 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 5 p. 1071 - 1077
  • Route3

    References

    • Journal of Antibiotics, , vol. 48, # 11 p. 1336 - 1344

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   44.12
  • LogP   0.2067
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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