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

  • CAS No. 1222174-92-6

  • Cat. No. CS-W007191
  • Purity≥97%
  • MDL No.MFCD22373310

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

Methyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate|CS-W007191

Structure of 1222174-92-6

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General Information

  • CAS No. 1222174-92-6
  • Cat. No. CS-W007191
  • Purity ≥97%
  • MDL No. MFCD22373310
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇BrN₂O₂
  • Molecular Weight 219.04
  • Synonym(s) None
  • SMILES O=C(C1=NN(C)C(Br)=C1)OC

Description

Methyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate features a brominated pyrazole core with a methyl ester at the C3 position, enabling direct incorporation into heterocyclic scaffolds. The electron-deficient pyrazole ring facilitates cross-coupling reactions, while the bench-stable ester group supports sequential functionalization in synthetic sequences.

Application

Methyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate serves as a versatile building block for the synthesis of bioactive heterocycles, enabling palladium-catalyzed cross-coupling reactions at the bromo position. The methylpyrazole core provides robust bench stability and functional group tolerance, while the ester moiety facilitates downstream transformations. This compound functions effectively in standard synthetic workflows requiring selective C–H activation or transition-metal-mediated coupling.

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

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