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CS-W001157 4
Total: USD 88.00

4-Bromo-3-methoxy-1-methyl-1H-pyrazole

  • CAS No. 1350323-85-1

  • Cat. No. CS-0050988
  • Purity≥98%
  • MDL No.None

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

4-Bromo-3-methoxy-1-methyl-1H-pyrazole|CS-0050988

Structure of 1350323-85-1

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General Information

  • CAS No. 1350323-85-1
  • Cat. No. CS-0050988
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇BrN₂O
  • Molecular Weight 191.03
  • Synonym(s) None
  • SMILES COC1=NN(C)C=C1Br

Description

4-Bromo-3-methoxy-1-methyl-1H-pyrazole features a brominated pyrazole core with strategically positioned methoxy and methyl substituents, enabling selective functionalization in heterocyclic synthesis. This bench-stable compound integrates readily into transition-metal-catalyzed coupling reactions, offering high reactivity at the bromine site while maintaining stability under standard handling conditions.

Application

4-Bromo-3-methoxy-1-methyl-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyrazole scaffolds via palladium-catalyzed cross-coupling reactions. The bromo group facilitates reliable C–C bond formation, while the methoxy and methyl substituents provide favorable electronic modulation and steric control. This compound exhibits excellent bench stability, ease of handling, and compatibility with standard purification methods, making it well-suited for iterative synthesis campaigns and API intermediate development.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   27.05
  • LogP   1.1912
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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