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

  • CAS No. 211738-66-8

  • Cat. No. CS-W000416
  • Molecule weight219.04
  • Purity≥98%
  • MDL No.MFCD02253785

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

Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate|CS-W000416

Structure of 211738-66-8

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General Information

  • CAS No. 211738-66-8
  • Cat. No. CS-W000416
  • Purity ≥98%
  • MDL No. MFCD02253785
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇BrN₂O₂
  • Molecular Weight 219.04
  • Synonym(s) methyl 4-bromo-1-methylpyrazole-3-carboxylate
  • SMILES CN1C=C(Br)C(C(OC)=O)=N1

Description

Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate features a brominated pyrazole core with a methyl ester at the 3-position, enabling direct functionalization in cross-coupling and heterocyclic synthesis. The electron-deficient pyrazole ring facilitates palladium-catalyzed transformations, while the bench-stable ester group simplifies handling and purification under standard conditions.

Application

Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo group and compatible ester functionality. The pyrazole core provides a rigid, heteroaromatic scaffold with favorable metabolic stability, while the methyl substituent enhances solubility and modulates electronic properties. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of complex heterocyclic architectures.

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

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