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CS-W001157 4
Total: USD 88.00

3,5-Dichloropyrazine-2-carboxylic acid

  • CAS No. 312736-49-5

  • Cat. No. CS-W006689
  • Purity≥98%
  • MDL No.None

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

3,5-Dichloropyrazine-2-carboxylic acid|CS-W006689

Structure of 312736-49-5

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General Information

  • CAS No. 312736-49-5
  • Cat. No. CS-W006689
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂Cl₂N₂O₂
  • Molecular Weight 192.99
  • Synonym(s) 3,5-Dichloropyrazine-2-carboxyamide
  • SMILES OC(=O)C1=NC=C(Cl)N=C1Cl

Description

3,5-Dichloropyrazine-2-carboxylic acid features a pyrazine core bearing two chlorine substituents at the 3 and 5 positions and a carboxylic acid group at the 2 position. This electron-deficient heterocycle integrates readily into medicinal chemistry scaffolds, offering enhanced metabolic stability and tunable polarity for drug discovery applications.

Application

3,5-Dichloropyrazine-2-carboxylic acid serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient access to pyrazine-based scaffolds. Its dichloro substitution pattern facilitates directed metalation and subsequent functionalization, while the carboxylic acid group supports straightforward derivatization via amide, ester, or amidation reactions. The compound exhibits good bench stability and is compatible with standard coupling protocols, making it well-suited for parallel library synthesis and API development workflows.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      2,6-Dichloropyrazine|CS-W010976
      4774-14-5
    • ~71%
    • In-stock
      3,5-Dichloropyrazine-2-carboxylic acid|CS-W006689
      312736-49-5

    References

    • Sudhakar, Anantha Patent: US2011/105497 A1, 2011 ; Location in patent: Page/Page column 38 ;
  • Route2

    References

    • LEWIS, Richard T.; ALLEN, Jennifer R.; CHENG, Yuan; CHOQUETTE, Deborah; EPSTEIN, Oleg; GUZMAN-PEREZ, Angel; HARRINGTON, Paul E.; HUA, Zihao; HUNGATE, Randall W.; HUMAN, Jason Brooks; JUDD, Ted; LIU, Qingyian; LOPEZ, Patricia; MINATTI, Ana Elena; OLIVIERI, Philip; ROMERO, Karina; RUMFELT, Shannon; RZASA, Robert M.; SCHENKEL, Laurie; STELLWAGEN, John; WHITE, Ryan; XUE, Qiufen; ZHENG, Xiao; ZHONG, Wenge Patent: US2014/107109 A1, 2014 ; Location in patent: Page/Page column ;
  • Route3
    • null|null
      768-66-1
    • In-stock
      2,6-Dichloropyrazine|CS-W010976
      4774-14-5
    • ~%
    • In-stock
      3,5-Dichloropyrazine-2-carboxylic acid|CS-W006689
      312736-49-5

    References

    • EP1184376 A1, ; Page 12 ;

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   1.4816
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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