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Ethyl 5-chloropyrazine-2-carboxylate

  • CAS No. 54013-04-6

  • Cat. No. CS-W022703
  • Purity≥96%
  • MDL No.MFCD18070850

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

Ethyl 5-chloropyrazine-2-carboxylate|CS-W022703

Structure of 54013-04-6

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General Information

  • CAS No. 54013-04-6
  • Cat. No. CS-W022703
  • Purity ≥96%
  • MDL No. MFCD18070850
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClN₂O₂
  • Molecular Weight None
  • Synonym(s) Pyrazinecarboxylic acid, 5-chloro-, ethyl ester
  • SMILES CCOC(=O)C1=CN=C(Cl)C=N1

Description

Ethyl 5-chloropyrazine-2-carboxylate is a bench-stable heterocyclic ester featuring a chlorinated pyrazine core. This electron-deficient scaffold integrates readily into synthetic sequences requiring regioselective functionalization. The ester group enables straightforward derivatization, while the chlorine atom serves as a versatile handle for nucleophilic substitution or transition-metal-catalyzed coupling reactions.

Application

Ethyl 5-chloropyrazine-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive chloropyrazine moiety. The ester functionality offers compatibility with standard manipulations, including hydrolysis and derivatization, while the molecule exhibits bench stability and ease of purification—ideal for constructing complex pyrazine-based scaffolds in medicinal chemistry and agrochemical research.

Synthesis

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    • In-stock
      Ethyl 5-chloropyrazine-2-carboxylate|CS-W022703
      54013-04-6

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 20 p. 3902 - 3907

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   52.08
  • LogP   1.3067
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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