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CS-W001157 4
Total: USD 88.00

1,3-Dimethyl-1H-pyrazol-5-ol

  • CAS No. 5203-77-0

  • Cat. No. CS-W019386
  • Purity≥96%
  • MDL No.MFCD00129673

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

1,3-Dimethyl-1H-pyrazol-5-ol|CS-W019386

Structure of 5203-77-0

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General Information

  • CAS No. 5203-77-0
  • Cat. No. CS-W019386
  • Purity ≥96%
  • MDL No. MFCD00129673
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈N₂O
  • Molecular Weight 112.13
  • Synonym(s) 5-Hydroxy-1,3-dimethylpyrazole
  • SMILES C[N]1C(=CC(=N1)C)O

Description

1,3-Dimethyl-1H-pyrazol-5-ol features a pyrazole core with methyl groups at positions 1 and 3, enhancing solubility and stability. The phenolic hydroxyl at C5 imparts hydrogen-bonding capability and reactivity in coupling reactions. This bench-stable scaffold serves as a key building block in medicinal chemistry and heterocyclic synthesis.

Application

1,3-Dimethyl-1H-pyrazol-5-ol serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrazole-based heterocycles through standard functionalization protocols. Its stability under ambient conditions and compatibility with common coupling reactions facilitate efficient access to diverse scaffolds. The compound functions effectively as a nucleophilic partner in C–H activation and transition-metal-catalyzed transformations, offering predictable reactivity for scaffold diversification in API development.

Synthesis

  • Route1
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • null|null
      60-34-4
    • ~75%
    • In-stock
      1,3-Dimethyl-1H-pyrazol-5-ol|CS-W019386
      5203-77-0

    References

    • Bagley, Mark C.; Baashen, Mohammed; Paddock, Victoria L.; Kipling, David; Davis, Terence Tetrahedron, 2013 , vol. 69, # 39 p. 8429 - 8438
  • Route2
    • In-stock
      Ethyl 2-butynoate|CS-W009547
      4341-76-8
    • null|null
      60-34-4
    • ~85%
    • In-stock
      1,3-Dimethyl-1H-pyrazol-5-ol|CS-W019386
      5203-77-0

    References

    • Hamper, Bruce C. Journal of Fluorine Chemistry, 1990 , vol. 48, # 1 p. 123 - 131

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   38.05
  • LogP   0.43412
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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