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CS-W001157 4
Total: USD 88.00

NSC 60802

  • CAS No. 22536-66-9

  • Cat. No. CS-0030451
  • Purity≥95%
  • MDL No.MFCD00234053

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

NSC 60802|CS-0030451

Structure of 22536-66-9

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General Information

  • CAS No. 22536-66-9
  • Cat. No. CS-0030451
  • Purity ≥95%
  • MDL No. MFCD00234053
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄ClN₃O
  • Molecular Weight 157.56
  • Synonym(s) None
  • SMILES O=C(C1=NC(Cl)=NC=C1)N

Description

2-Chloropyrimidine-4-carboxamide features a chlorinated pyrimidine core paired with a carboxamide group, enabling selective coupling in heterocyclic synthesis. This electron-deficient scaffold integrates readily into pharmaceutical intermediates and functional materials, offering high reactivity under mild conditions with excellent bench stability.

Application

2-Chloropyrimidine-4-carboxamide serves as a versatile building block in medicinal chemistry, enabling nucleophilic substitution reactions at the C2 position under mild conditions. Its stability, compatibility with diverse functional groups, and utility in constructing pyrimidine-based scaffolds make it ideal for synthesizing kinase inhibitors and other bioactive heterocycles.

Synthesis

  • Route1

    References

    • US2002/40025 A1, ;
  • Route2
    • 2-Oxo-2,3-dihydropyrimidine-4-carbaldehyde oxime|CS-0045758
      7460-56-2
    • ~%
    • In-stock
      NSC 60802|CS-0030451
      22536-66-9

    References

    • US2011/136833 A1, ; Page/Page column 26 ;
  • Route3
    • 4-Methylpyrimidin-2-ol|CS-0037723
      15231-48-8
    • ~%
    • In-stock
      NSC 60802|CS-0030451
      22536-66-9

    References

    • US2011/136833 A1, ;

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   68.87
  • LogP   0.2289
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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