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CS-W001157 4
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4,5-Dimethyl-1,2-dihydropyridazine-3,6-dione

  • CAS No. 5754-17-6

  • Cat. No. CS-0149593
  • Purity≥97%
  • MDL No.MFCD00067744

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

4,5-Dimethyl-1,2-dihydropyridazine-3,6-dione|CS-0149593

Structure of 5754-17-6

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General Information

  • CAS No. 5754-17-6
  • Cat. No. CS-0149593
  • Purity ≥97%
  • MDL No. MFCD00067744
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₂
  • Molecular Weight 140.14
  • Synonym(s) 4,5-Dimethylpyridazine-3,6-diol
  • SMILES O=C1C(C)=C(C)C(NN1)=O

Description

4,5-Dimethyl-1,2-dihydropyridazine-3,6-dione features a rigid, electron-deficient dihydropyridazine core stabilized by methyl substituents at the 4- and 5-positions. This scaffold serves as a key building block in heterocyclic synthesis, offering enhanced stability under standard conditions while enabling selective transformations in medicinal chemistry and materials development.

Application

4,5-Dimethyl-1,2-dihydropyridazine-3,6-dione serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridazine scaffolds via oxidation or functionalization. Its stable dihydropyridazine core exhibits excellent bench stability and tolerates diverse reaction conditions, facilitating downstream transformations such as nucleophilic substitution and cycloaddition. The molecule functions effectively in the construction of bioactive heterocycles relevant to medicinal chemistry and agrochemical development.

Synthesis

  • Route1

    References

    • Novartis AG Patent: US2010/41663 A1, 2010 ; Location in patent: Page/Page column 41 ;
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 76, p. 4454,4457
  • Route3
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      63751-07-5
    • ~%
    • In-stock
      4,5-Dimethyl-1,2-dihydropyridazine-3,6-dione|CS-0149593
      5754-17-6

    References

    • Journal of Organic Chemistry, , vol. 20, p. 707,708

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   65.72
  • LogP   -0.31996
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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