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CS-W001157 4
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3,6-Dimethylpyrazine-2-carboxylic acid

  • CAS No. 2435-46-3

  • Cat. No. CS-0005514
  • Purity≥98%
  • MDL No.MFCD13174793

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

3,6-Dimethylpyrazine-2-carboxylic acid|CS-0005514

Structure of 2435-46-3

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General Information

  • CAS No. 2435-46-3
  • Cat. No. CS-0005514
  • Purity ≥98%
  • MDL No. MFCD13174793
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₂
  • Molecular Weight 152.15
  • Synonym(s) Pyrazinecarboxylic acid, 3,6-dimethyl- (7CI,9CI)
  • SMILES O=C(C1=NC(C)=CN=C1C)O

Description

3,6-Dimethylpyrazine-2-carboxylic acid features a rigid pyrazine core functionalized with methyl and carboxylic acid groups at strategic positions, enabling direct integration into bioactive scaffolds. The electron-deficient ring system enhances reactivity in coupling reactions, while the carboxylic acid moiety facilitates derivatization under standard conditions. This structure supports applications in medicinal chemistry and materials science, where controlled polarity and stability are essential.

Application

3,6-Dimethylpyrazine-2-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its pyrazine core provides robust stability and orthogonal reactivity, enabling direct functionalization at the carboxylic acid and methyl groups. The compound facilitates coupling reactions, derivatization, and incorporation into bioactive scaffolds with predictable stereochemical outcomes. Bench-stable and readily purified by recrystallization, it functions reliably in standard synthetic workflows.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      3-Iodo-2,5-dimethylpyrazine|CS-0097644
      59021-15-7
    • ~%
    • In-stock
      3,6-Dimethylpyrazine-2-carboxylic acid|CS-0005514
      2435-46-3

    References

    • WO2011/105628 A1, ; Page/Page column 82 ; WO 2011/105628 A1
  • Route2

    References

    • Journal fuer Praktische Chemie (Leipzig), , vol. <2> 47, p. 494,506, 508 Journal fuer Praktische Chemie (Leipzig), , vol. 55, p. 51

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   0.79164
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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