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CS-W001157 4
Total: USD 88.00

3,6-Diiodopyridazine

  • CAS No. 20698-04-8

  • Cat. No. CS-0028767
  • Purity≥97%
  • MDL No.MFCD01004249

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

3,6-Diiodopyridazine|CS-0028767

Structure of 20698-04-8

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General Information

  • CAS No. 20698-04-8
  • Cat. No. CS-0028767
  • Purity ≥97%
  • MDL No. MFCD01004249
  • Storage -20°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂I₂N₂
  • Molecular Weight 331.88
  • Synonym(s) NSC 69818; 3,6-DIIDOPYRIDAZINE
  • SMILES IC1=NN=C(I)C=C1

Description

3,6-Diiodopyridazine is a heteroaromatic diiodide featuring two iodine atoms at the 3- and 6-positions of the pyridazine ring. This electron-deficient scaffold enables direct functionalization via cross-coupling reactions, offering efficient access to substituted pyridazines under mild conditions. The molecule exhibits high stability and compatibility with diverse reaction environments.

Application

3,6-Diiodopyridazine serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions to construct biaryl and heteroaryl architectures. Its dual iodine substituents provide orthogonal reactivity for sequential functionalization, facilitating the assembly of complex scaffolds with high regiocontrol. The compound exhibits good bench stability and compatibility with standard reaction conditions, making it a practical choice for synthetic workflows requiring precise substitution patterns.

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2007/48802 A1, 2007 ; Location in patent: Page/Page column 91 ;

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   1.6858
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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