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CS-W001157 4
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5-(Methoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid

  • CAS No. 117860-56-7

  • Cat. No. CS-0050752
  • Molecule weight184.15
  • Purity≥95%
  • MDL No.None

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

5-(Methoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid|CS-0050752

Structure of 117860-56-7

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General Information

  • CAS No. 117860-56-7
  • Cat. No. CS-0050752
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₄
  • Molecular Weight 184.15
  • Synonym(s) None
  • SMILES COC(=O)C1=CC(=NN1C)C(O)=O

Description

This pyrazole carboxylic acid features a methoxycarbonyl group at the 5-position and a methyl substituent at the 1-position, delivering enhanced solubility and stability. The conjugated system supports efficient coupling reactions, while the carboxylic acid moiety enables direct derivatization. A robust scaffold for bioactive molecule synthesis under standard conditions.

Application

5-(Methoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to pyrazole-based scaffolds prevalent in medicinal chemistry. Its dual functionality—carboxylic acid and ester groups—facilitates sequential derivatization, while the methyl substitution enhances bench stability and simplifies purification. The molecule functions reliably in standard coupling reactions and participates in cycloaddition processes, offering predictable reactivity for constructing complex molecular architectures under routine laboratory conditions.

Synthesis

  • Route1

    References

    • Lee, Ho H.; Cain, Bruce F.; Denny, William A.; Buckleton, John S.; Clark, George R. Journal of Organic Chemistry, 1989 , vol. 54, # 2 p. 428 - 431
  • Route2
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      67-51-6
    • ~%
    • In-stock
      5-(Methoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid|CS-0050752
      117860-56-7

    References

    • Journal of Organic Chemistry, , vol. 54, # 2 p. 428 - 431
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 54, # 2 p. 428 - 431

Safety Information

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

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Computational Chemistry Data

  • TPSA   81.42
  • LogP   -0.0951
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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