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CS-W001157 4
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Methyl 5-chloro-6-methylpyrazine-2-carboxylate

  • CAS No. 77168-85-5

  • Cat. No. CS-W019404
  • Molecule weight186.60
  • Purity≥97%
  • MDL No.MFCD18633146

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

Methyl 5-chloro-6-methylpyrazine-2-carboxylate|CS-W019404

Structure of 77168-85-5

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General Information

  • CAS No. 77168-85-5
  • Cat. No. CS-W019404
  • Purity ≥97%
  • MDL No. MFCD18633146
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClN₂O₂
  • Molecular Weight 186.60
  • Synonym(s) Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate
  • SMILES COC(=O)C1=CN=C(Cl)C(C)=N1

Description

Methyl 5-chloro-6-methylpyrazine-2-carboxylate features a pyrazine core functionalized with chlorine, methyl, and ester groups, enabling direct incorporation into heterocyclic scaffolds. The electron-deficient ring facilitates nucleophilic substitution, while the ester moiety offers versatility in downstream transformations. This bench-stable reagent streamlines access to complex nitrogen-rich architectures in medicinal chemistry and materials synthesis.

Application

Methyl 5-chloro-6-methylpyrazine-2-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its pyrazine core supports diverse functionalization, with the chloro group enabling palladium-catalyzed cross-coupling reactions and the ester moiety permitting selective reduction or hydrolysis. The molecule exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthetic workflows targeting bioactive scaffolds.

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   52.08
  • LogP   1.22502
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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