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CS-W001157 4
Total: USD 88.00

3,5-(Diethoxycarbonyl)-1H-pyrazole

  • CAS No. 37687-24-4

  • Cat. No. CS-D1744
  • Purity≥98%
  • MDL No.MFCD00152167

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

3,5-(Diethoxycarbonyl)-1H-pyrazole|CS-D1744

Structure of 37687-24-4

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General Information

  • CAS No. 37687-24-4
  • Cat. No. CS-D1744
  • Purity ≥98%
  • MDL No. MFCD00152167
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₄
  • Molecular Weight 212.20
  • Synonym(s) 3,5-Pyrazoledicarboxylic acid diethyl ester; Diethyl 1H-pyrazole-3,5-dicarboxylate; Diethyl pyrazole-3,5-dicarboxylate; Pyrazole-3,5-dicarboxylic Acid Diethyl Ester
  • SMILES O=C(C1=NNC(C(OCC)=O)=C1)OCC

Description

3,5-(Diethoxycarbonyl)-1H-pyrazole features a pyrazole core flanked by two ethoxycarbonyl groups, enabling robust integration into heterocyclic scaffolds. This electron-deficient heterocycle serves as a key building block for medicinal chemistry and materials science, offering enhanced stability and predictable reactivity under standard conditions.

Application

3,5-(Diethoxycarbonyl)-1H-pyrazole serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrazoles via standard condensation and cyclization protocols. Its dual ethoxycarbonyl groups provide enhanced reactivity in nucleophilic substitution and metal-catalyzed coupling reactions, while maintaining bench stability and ease of purification. Functions effectively in the construction of bioactive scaffolds and pharmaceutical intermediates.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   81.28
  • LogP   0.7631
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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