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

  • CAS No. 2246373-43-1

  • Cat. No. CS-0137498
  • Purity≥95%
  • MDL No.None

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

Methyl 3-bromo-1H-pyrazole-5-carboxylate|CS-0137498

Structure of 2246373-43-1

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General Information

  • CAS No. 2246373-43-1
  • Cat. No. CS-0137498
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅BrN₂O₂
  • Molecular Weight 205.01
  • Synonym(s) None
  • SMILES O=C(C1=CC(Br)=NN1)OC

Description

Methyl 3-bromo-1H-pyrazole-5-carboxylate features a brominated pyrazole core with a methyl ester handle, enabling direct incorporation into cross-coupling reactions. The electron-deficient pyrazole ring enhances reactivity in palladium-catalyzed transformations, while the bench-stable ester group simplifies handling and purification. This compound serves as a key intermediate for heterocyclic scaffolds in medicinal chemistry and agrochemical development.

Application

Methyl 3-bromo-1H-pyrazole-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions for the construction of substituted pyrazole scaffolds. The bromo group facilitates efficient C–C bond formation under standard Suzuki, Stille, or Negishi conditions, while the ester functionality supports further derivatization. Its bench-stable nature and compatibility with diverse functional groups make it ideal for medicinal chemistry and process-scale 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   0.9588
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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