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Methyl 3-bromo-1-methyl-1H-pyrazole-5-carboxylate

  • CAS No. 1784137-59-2

  • Cat. No. CS-0130139
  • Purity≥98%
  • MDL No.MFCD28650794

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

Methyl 3-bromo-1-methyl-1H-pyrazole-5-carboxylate|CS-0130139

Structure of 1784137-59-2

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General Information

  • CAS No. 1784137-59-2
  • Cat. No. CS-0130139
  • Purity ≥98%
  • MDL No. MFCD28650794
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇BrN₂O₂
  • Molecular Weight 219.04
  • Synonym(s) None
  • SMILES O=C(C1=CC(Br)=NN1C)OC

Description

Methyl 3-bromo-1-methyl-1H-pyrazole-5-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring a brominated pyrazole core. This electrophilic moiety integrates readily into cross-coupling reactions, enabling efficient access to functionalized pyrazole derivatives for medicinal chemistry and materials science applications.

Application

Methyl 3-bromo-1-methyl-1H-pyrazole-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive bromo group at the C3 position. The methylated pyrazole core provides enhanced stability and favorable solubility, while the ester functionality supports further derivatization. Its bench-stable nature and compatibility with standard coupling protocols make it ideal for constructing complex scaffolds in medicinal chemistry and agrochemical research.

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   44.12
  • LogP   0.9692
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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