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3-Bromo-6-chloropyrazine-2-carboxylic acid

  • CAS No. 1260773-60-1

  • Cat. No. CS-0041671
  • Purity≥97%
  • MDL No.MFCD13193673

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

3-Bromo-6-chloropyrazine-2-carboxylic acid|CS-0041671

Structure of 1260773-60-1

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General Information

  • CAS No. 1260773-60-1
  • Cat. No. CS-0041671
  • Purity ≥97%
  • MDL No. MFCD13193673
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂BrClN₂O₂
  • Molecular Weight 237.44
  • Synonym(s) 3-Bromo-6-chloro-2-pyrazinecarboxylic acid
  • SMILES O=C(C1=NC(Cl)=CN=C1Br)O

Description

3-Bromo-6-chloropyrazine-2-carboxylic acid features a pyrazine core functionalized with bromo, chloro, and carboxylic acid groups at strategic positions, enabling direct coupling in cross-coupling and amidation reactions. The electron-deficient heterocycle enhances reactivity in transition metal-catalyzed transformations. This bench-stable derivative serves as a key intermediate for pharmaceutical and agrochemical synthesis.

Application

3-Bromo-6-chloropyrazine-2-carboxylic acid serves as a versatile building block for the synthesis of functionalized pyrazine scaffolds. Its dual halogenation pattern enables sequential cross-coupling reactions, facilitating access to complex heterocyclic architectures. The carboxylic acid group offers direct handle for derivatization via amide formation or esterification, enhancing utility in medicinal chemistry and materials science applications. Bench-stable and compatible with standard reaction conditions, it functions reliably in Pd-catalyzed coupling workflows and is well-suited for scale-up.

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

Quality Control

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   1.5907
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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