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Ethyl 3-bromo-1H-pyrazole-5-carboxylate

  • CAS No. 1886994-07-5

  • Cat. No. CS-0058625
  • Purity≥96%
  • MDL No.MFCD28393486

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

Ethyl 3-bromo-1H-pyrazole-5-carboxylate|CS-0058625

Structure of 1886994-07-5

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General Information

  • CAS No. 1886994-07-5
  • Cat. No. CS-0058625
  • Purity ≥96%
  • MDL No. MFCD28393486
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇BrN₂O₂
  • Molecular Weight 219.04
  • Synonym(s) None
  • SMILES BrC1=NNC(C(OCC)=O)=C1

Description

Ethyl 3-bromo-1H-pyrazole-5-carboxylate features a brominated pyrazole core with a pendant ethyl ester, enabling direct functionalization in cross-coupling and heterocyclic elaboration. This bench-stable reagent integrates readily into synthetic sequences requiring electrophilic C–Br activation or site-selective derivatization.

Application

Ethyl 3-bromo-1H-pyrazole-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions and nucleophilic substitution processes. The bromine at the 3-position exhibits high reactivity in standard coupling protocols, while the ester functionality supports further derivatization. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for constructing pyrazole-based scaffolds in medicinal chemistry and materials science applications.

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

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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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