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CS-W001157 4
Total: USD 88.00

4,5-Dichloro-2-methylpyridazin-3(2H)-one

  • CAS No. 933-76-6

  • Cat. No. CS-W022047
  • Purity≥97%
  • MDL No.MFCD00051686

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

4,5-Dichloro-2-methylpyridazin-3(2H)-one|CS-W022047

Structure of 933-76-6

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General Information

  • CAS No. 933-76-6
  • Cat. No. CS-W022047
  • Purity ≥97%
  • MDL No. MFCD00051686
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄Cl₂N₂O
  • Molecular Weight 179.00
  • Synonym(s) 5-24-02-00023 (Beilstein Handbook Reference)
  • SMILES O=C1C(Cl)=C(Cl)C=NN1C

Description

4,5-Dichloro-2-methylpyridazin-3(2H)-one is a bench-stable heterocyclic scaffold featuring two chlorine substituents at the 4 and 5 positions and a methyl group at C2. This electron-deficient core integrates readily into medicinal chemistry campaigns, offering enhanced metabolic stability and strategic reactivity for coupling reactions in drug discovery workflows.

Application

4,5-Dichloro-2-methylpyridazin-3(2H)-one serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through nucleophilic substitution and coupling reactions. Its dichloro substitution pattern facilitates selective functionalization at C4 or C5, while the methyl and carbonyl groups offer orthogonal reactivity for downstream derivatization. The compound exhibits bench stability and compatibility with standard purification methods, making it well-suited for scalable synthesis and API development workflows.

Synthesis

  • Route1
    • In-stock
      4,5-Dichloro-3(2H)-pyridazinone|CS-W002242
      932-22-9
    • null|null
      74-88-4
    • ~74%
    • In-stock
      4,5-Dichloro-2-methylpyridazin-3(2H)-one|CS-W022047
      933-76-6

    References

    • CEPHALON, INC. Patent: WO2009/142732 A2, 2009 ; Location in patent: Page/Page column 61-62 ; WO 2009/142732 A2
  • Route2
    • null|null
      87-56-9
    • null|null
      60-34-4
    • ~90%
    • In-stock
      4,5-Dichloro-2-methylpyridazin-3(2H)-one|CS-W022047
      933-76-6

    References

    • Hergenrother, Paul J.; Putt, Karson S.; Liu, Xianjun Patent: US2007/32496 A1, 2007 ; Location in patent: Page/Page column 13 ;
  • Route3
    • null|null
      608-42-4
    • null|null
      60-34-4
    • ~74%
    • In-stock
      4,5-Dichloro-2-methylpyridazin-3(2H)-one|CS-W022047
      933-76-6

    References

    • Chen, Shih-Fong; Panzica, Raymond P. Journal of Organic Chemistry, 1981 , vol. 46, # 12 p. 2467 - 2473

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.0871
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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