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CS-W001157 4
Total: USD 88.00

2,4-Difluoropyrimidine

  • CAS No. 2802-61-1

  • Cat. No. CS-0052149
  • Purity≥97%
  • MDL No.None

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

2,4-Difluoropyrimidine|CS-0052149

Structure of 2802-61-1

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General Information

  • CAS No. 2802-61-1
  • Cat. No. CS-0052149
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂F₂N₂
  • Molecular Weight 116.07
  • Synonym(s) Pyrimidine, 2,4-difluoro- (6CI,8CI,9CI)
  • SMILES FC1=NC(F)=NC=C1

Description

2,4-Difluoropyrimidine serves as a key heterocyclic scaffold in medicinal chemistry, offering enhanced metabolic stability and improved membrane permeability. The strategically positioned fluorine atoms enable favorable electronic effects and facilitate C–H functionalization. This electron-deficient pyrimidine integrates efficiently into kinase inhibitors and antiviral agents, providing a robust platform for target-specific drug design under standard bench conditions.

Application

2,4-Difluoropyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient late-stage functionalization via nucleophilic substitution at the C2 or C4 position. Its high reactivity profile facilitates the construction of diverse heterocyclic scaffolds, particularly in kinase inhibitor and antiviral agent development. The molecule exhibits excellent bench stability and compatibility with common reaction conditions, simplifying purification and scale-up. Functions as a key motif in API synthesis due to its favorable metabolic stability and ability to modulate target binding affinity.

Synthesis

  • Route1
    • null|null
      3934-20-1
    • ~84%
    • In-stock
      2,4-Difluoropyrimidine|CS-0052149
      2802-61-1

    References

    • Ple; Turck; Heynderickx; Queguiner Journal of Heterocyclic Chemistry, 1994 , vol. 31, # 6 p. 1311 - 1315

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS05,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302-H315-H318-H335
Precautionary Statements : P210-P233-P280

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   0.7548
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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