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CS-W001157 4
Total: USD 88.00

3,6-Difluoropyridazine

  • CAS No. 33097-39-1

  • Cat. No. CS-W018931
  • Purity≥97%
  • MDL No.MFCD09909693

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

3,6-Difluoropyridazine|CS-W018931

Structure of 33097-39-1

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General Information

  • CAS No. 33097-39-1
  • Cat. No. CS-W018931
  • Purity ≥97%
  • MDL No. MFCD09909693
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂F₂N₂
  • Molecular Weight 116.07
  • Synonym(s) None
  • SMILES C1=CC(=NN=C1F)F

Description

3,6-Difluoropyridazine is a bench-stable, electron-deficient heterocycle featuring two fluorine substituents at the 3- and 6-positions. This configuration enhances reactivity in cross-coupling processes and enables selective functionalization in medicinal chemistry applications.

Application

3,6-Difluoropyridazine serves as a versatile building block in medicinal chemistry, enabling direct functionalization at both C3 and C6 positions via palladium-catalyzed cross-coupling reactions. Its high reactivity and bench stability facilitate efficient construction of complex heterocyclic scaffolds, particularly in the synthesis of kinase inhibitors and CNS-targeted pharmaceuticals. The difluoro substitution pattern enhances metabolic stability and modulates electronic properties, supporting favorable pharmacokinetic profiles in lead optimization campaigns.

Synthesis

  • Route1

    References

    • Angewandte Chemie - International Edition, , vol. 45, # 17 p. 2720 - 2725
  • Route2

    References

    • Darabantu, Mircea; Lequeux, Thierry; Pommelet, Jean-Claude; Ple, Nelly; Turck, Alain Tetrahedron, 2001 , vol. 57, # 4 p. 739 - 750

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

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