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

  • CAS No. 5932-27-4

  • Cat. No. CS-W002460
  • Purity≥97%
  • MDL No.MFCD00159643

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

Ethyl 1H-pyrazole-3-carboxylate|CS-W002460

Structure of 5932-27-4

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General Information

  • CAS No. 5932-27-4
  • Cat. No. CS-W002460
  • Purity ≥97%
  • MDL No. MFCD00159643
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₂
  • Molecular Weight 140.14
  • Synonym(s) Pyrazole-3-carboxylic Acid Ethyl Ester
  • SMILES O=C(C1=NNC=C1)OCC

Description

Ethyl 1H-pyrazole-3-carboxylate features a pyrazole core with a strategically positioned ester group, enabling direct integration into heterocyclic synthesis. This bench-stable, moisture-tolerant reagent serves as a key building block for pharmaceutical intermediates and agrochemicals, offering high reactivity in transition-metal-catalyzed couplings and facile derivatization at the C3 position.

Application

Ethyl 1H-pyrazole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrazole-based scaffolds prevalent in medicinal chemistry. Its ester functionality facilitates nucleophilic acyl substitution and subsequent derivatization, while the pyrazole core exhibits favorable bench stability and compatibility with common reaction conditions. The compound functions effectively in Pd-catalyzed cross-coupling reactions and supports the construction of biologically relevant frameworks through selective functionalization at the C3 position.

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   54.98
  • LogP   0.5864
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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