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4-Chloro-5-hydroxy-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one

  • CAS No. 645405-18-1

  • Cat. No. CS-0505194
  • Molecule weight230.65
  • Purity≥98%
  • MDL No.None

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

4-Chloro-5-hydroxy-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one|CS-0505194

Structure of 645405-18-1

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General Information

  • CAS No. 645405-18-1
  • Cat. No. CS-0505194
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClN₂O₃
  • Molecular Weight 230.65
  • Synonym(s) 4-Chloro-5-hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one
  • SMILES O=C1C(Cl)=C(O)C=NN1C2CCCCO2

Synthesis

  • Route1

    References

    • NEUROCRINE BIOSCIENCES, INC. Patent: WO2005/103039 A1, 2005 ; Location in patent: Page/Page column 36 ; WO 2005/103039 A1
  • Route2
    • 4-Chloro-5-methoxy-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one|CS-0506294
      173206-12-7
    • ~87%
    • 4-Chloro-5-hydroxy-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one|CS-0505194
      645405-18-1

    References

    • Ma, Chen; Cho, Su-Dong; Falck; Shin, Dong-Soo Heterocycles, 2004 , vol. 63, # 1 p. 75 - 85
  • Route3
    • null|null
      110-87-2
    • ~%
    • 4-Chloro-5-hydroxy-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one|CS-0505194
      645405-18-1

    References

    • Dyck, Brian; Markison, Stacy; Zhao, Liren; Tamiya, Junko; Grey, Jonathan; Rowbottom, Martin W.; Zhang, Mingzhu; Vickers, Troy; Sorensen, Katie; Norton, Christi; Wen, Jenny; Heise, Christopher E.; Saunders, John; Conlon, Paul; Madan, Ajay; Schwarz, David; Goodfellow, Val S. Journal of Medicinal Chemistry, 2006 , vol. 49, # 13 p. 3753 - 3756

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   64.35
  • LogP   1.3014
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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