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CS-W001157 4
Total: USD 88.00

5-Iodo-2,3-dihydropyridazin-3-one

  • CAS No. 825633-94-1

  • Cat. No. CS-W019630
  • Purity≥95%
  • MDL No.MFCD08693620

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

5-Iodo-2,3-dihydropyridazin-3-one|CS-W019630

Structure of 825633-94-1

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General Information

  • CAS No. 825633-94-1
  • Cat. No. CS-W019630
  • Purity ≥95%
  • MDL No. MFCD08693620
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃IN₂O
  • Molecular Weight 221.98
  • Synonym(s) 5-Iodopyridazin-3(2H)-one
  • SMILES O=C1C=C(I)C=NN1

Description

5-Iodo-2,3-dihydropyridazin-3-one features a reactive iodine handle at the C5 position, enabling efficient cross-coupling transformations. The dihydropyridazinone core offers enhanced stability and solubility in polar solvents, facilitating its use in medicinal chemistry and synthetic route development under standard conditions.

Application

5-Iodo-2,3-dihydropyridazin-3-one serves as a versatile building block for late-stage functionalization in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions. Its iodine handle facilitates efficient C–C and C–heteroatom bond formation under mild conditions. The dihydropyridazinone core exhibits good bench stability and compatibility with common protecting groups, making it suitable for modular synthesis of heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1

    References

    • Becknell, Nadine C.; Lyons, Jacquelyn A.; Aimone, Lisa D.; Huang, Zeqi; Gruner, John A.; Raddatz, Rita; Hudkins, Robert L. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 12 p. 3880 - 3886
  • Route2

    References

    • Coelho, Alberto; Sotelo, Eddy; Novoa, Hector; Peeters, Oswald M.; Blaton, Norbert; Ravina, Enrique Tetrahedron, 2004 , vol. 60, # 52 p. 12177 - 12189

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

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   0.3745
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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