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CS-W001157 4
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Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate

  • CAS No. 63001-30-9

  • Cat. No. CS-0043958
  • Purity≥98%
  • MDL No.None

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

Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate|CS-0043958

Structure of 63001-30-9

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General Information

  • CAS No. 63001-30-9
  • Cat. No. CS-0043958
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O₃
  • Molecular Weight 154.12
  • Synonym(s) methyl 6-hydroxypyridazine-3-carboxylate
  • SMILES O=C1NN=C(C=C1)C(=O)OC

Description

Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate features a reactive diketone scaffold enabling direct functionalization at the 6-position. This bench-stable heterocycle integrates readily into synthetic sequences requiring electron-deficient pyridazine cores, offering efficient access to nitrogen-rich scaffolds for medicinal chemistry and materials development.

Application

Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate serves as a versatile synthetic building block for heterocyclic scaffolds, enabling efficient access to pyridazine derivatives via standard functional group transformations. The molecule features a reactive enone-like system and a readily modifiable ester group, facilitating nucleophilic additions, condensations, and cyclizations under mild conditions. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • Methyl 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylate|CS-0302145
      89532-94-5
    • ~58%
    • In-stock
      Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate|CS-0043958
      63001-30-9

    References

    • THE SCRIPPS RESEARCH INSTITUTE; BOGER, Dale, L. Patent: WO2010/5572 A2, 2010 ; Location in patent: Page/Page column 85 ; WO 2010/005572 A2
  • Route2
    • null|null
      67-56-1
    • In-stock
      6-Hydroxypyridazine-3-carboxylic acid|CS-W005425
      37972-69-3
    • ~98%
    • In-stock
      Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate|CS-0043958
      63001-30-9

    References

    • XENON PHARMACEUTICALS INC. Patent: WO2006/34440 A2, 2006 ; Location in patent: Page/Page column 43 ; WO 2006/034440 A2
  • Route3

    References

    • US2014/100231 A1, ; Page/Page column ;

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   72.05
  • LogP   -0.4435
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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