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CS-W001157 4
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Ethyl 5-bromo-1H-pyrazole-3-carboxylate

  • CAS No. 1392208-46-6

  • Cat. No. CS-W022700
  • Purity≥96%
  • MDL No.MFCD20275526

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

Ethyl 5-bromo-1H-pyrazole-3-carboxylate|CS-W022700

Structure of 1392208-46-6

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General Information

  • CAS No. 1392208-46-6
  • Cat. No. CS-W022700
  • Purity ≥96%
  • MDL No. MFCD20275526
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇BrN₂O₂
  • Molecular Weight 219.04
  • Synonym(s) 5-Bromo-1H-pyrazole-3-carboxylic acid ethyl ester
  • SMILES O=C(C1=NNC(Br)=C1)OCC

Description

Ethyl 5-bromo-1H-pyrazole-3-carboxylate features a brominated pyrazole core with a carboxylate ester handle, enabling direct functionalization in cross-coupling and cyclization workflows. The electron-deficient heterocycle facilitates palladium-catalyzed transformations, while the ethyl ester group supports further derivatization under standard conditions. This bench-stable reagent integrates readily into synthetic sequences for medicinally relevant scaffolds.

Application

Ethyl 5-bromo-1H-pyrazole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its bromine substituent at the C5 position. The pyrazole core provides a rigid, polar scaffold with established utility in medicinal chemistry and agrochemical development. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient functionalization and downstream derivatization.

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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