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CS-W001157 4
Total: USD 88.00

Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate

  • CAS No. 7251-53-8

  • Cat. No. CS-W018871
  • Purity≥97%
  • MDL No.MFCD12131138

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

Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate|CS-W018871

Structure of 7251-53-8

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General Information

  • CAS No. 7251-53-8
  • Cat. No. CS-W018871
  • Purity ≥97%
  • MDL No. MFCD12131138
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₃
  • Molecular Weight 156.14
  • Synonym(s) ethyl 3-hydroxy-1H-pyrazole-4-carboxylate
  • SMILES O=C(C1=CNNC1=O)OCC

Description

Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate serves as a versatile scaffold for constructing heterocyclic frameworks. The conjugated enone system enables efficient Michael additions and cyclocondensations. This bench-stable reagent integrates readily into synthetic sequences requiring nitrogen-rich, electron-deficient intermediates.

Application

Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate serves as a versatile scaffold for constructing pyrazole-based heterocycles, enabling efficient access to medicinally relevant frameworks. Its enolizable ketone and ester functionalities support diverse transformations, including nucleophilic additions, condensations, and transition-metal-catalyzed couplings. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   74.95
  • LogP   -0.1203
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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