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CS-W001157 4
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3-Chloropyrazine-2-carbaldehyde

  • CAS No. 121246-96-6

  • Cat. No. CS-0051399
  • Purity≥95%
  • MDL No.MFCD07371660

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

3-Chloropyrazine-2-carbaldehyde|CS-0051399

Structure of 121246-96-6

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General Information

  • CAS No. 121246-96-6
  • Cat. No. CS-0051399
  • Purity ≥95%
  • MDL No. MFCD07371660
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃ClN₂O
  • Molecular Weight 142.54
  • Synonym(s) 3-CHLORO-PYRAZINE-2-CARBALDEHYDE
  • SMILES ClC1=NC=CN=C1C=O

Description

3-Chloropyrazine-2-carbaldehyde is a heterocyclic aldehyde featuring a chlorine atom at the 3-position and an aldehyde group at the 2-position of the pyrazine ring. This electron-deficient scaffold enables direct coupling in cross-coupling reactions and serves as a key building block for pharmaceutical intermediates, agrochemicals, and functional materials. The aldehyde functionality offers high reactivity in nucleophilic additions and condensation processes.

Application

3-Chloropyrazine-2-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds via palladium-catalyzed cross-coupling and nucleophilic substitution reactions. Its electrophilic aldehyde functionality and chloropyrazine moiety offer orthogonal reactivity for sequential functionalization, while its bench-stable crystalline form facilitates handling and purification in synthetic workflows.

Synthesis

  • Route1
    • null|null
      109-94-4
    • ~%
    • In-stock
      3-Chloropyrazine-2-carbaldehyde|CS-0051399
      121246-96-6

    References

    • WO2006/106307 A1, ; Page/Page column 88 ; WO 2006/106307 A1
  • Route2
    • In-stock
      Chloropyrazine|CS-W018537
      14508-49-7
    • null|null
      68-12-2
    • ~%
    • In-stock
      3-Chloropyrazine-2-carbaldehyde|CS-0051399
      121246-96-6

    References

    • US2008/275052 A1, ; Page/Page column 21 ; US 20080275052 A1
  • Route3
    • In-stock
      Chloropyrazine|CS-W018537
      14508-49-7
    • null|null
      107-31-3
    • ~%
    • In-stock
      3-Chloropyrazine-2-carbaldehyde|CS-0051399
      121246-96-6

    References

    • WO2005/113535 A2, ; Page/Page column 24 ; WO 2005/113535 A2

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
Precautionary Statements : P261-P280-P304+P340-P405

Quality Control

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Computational Chemistry Data

  • TPSA   42.85
  • LogP   0.9425
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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