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Ethyl 4-bromo-1H-pyrazole-3-carboxylate

  • CAS No. 5932-34-3

  • Cat. No. CS-B1046
  • Purity≥95%
  • MDL No.MFCD10697501

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

Ethyl 4-bromo-1H-pyrazole-3-carboxylate|CS-B1046

Structure of 5932-34-3

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General Information

  • CAS No. 5932-34-3
  • Cat. No. CS-B1046
  • Purity ≥95%
  • MDL No. MFCD10697501
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇BrN₂O₂
  • Molecular Weight 219.04
  • Synonym(s) InChI=1/C6H7BrN2O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2H2,1H3,(H,8,9
  • SMILES O=C(C1=NNC=C1Br)OCC

Description

Ethyl 4-bromo-1H-pyrazole-3-carboxylate features a brominated pyrazole core with a pendant ethyl ester, enabling direct functionalization at the 4-position. This bench-stable reagent integrates readily into transition-metal-catalyzed cross-coupling reactions, serving as a versatile synthon for constructing biologically active heterocycles and advanced pharmaceutical intermediates.

Application

Ethyl 4-bromo-1H-pyrazole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo functionality. The pyrazole core provides a robust scaffold for medicinal chemistry applications, while the ester group offers compatibility with standard functional group manipulations. Its bench-stable nature and ease of purification make it well-suited for iterative synthetic 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   54.98
  • LogP   1.3489
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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