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CS-W001157 4
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1-(Pyridin-4-yl)butane-1,3-dione

  • CAS No. 75055-73-1

  • Cat. No. CS-0158420
  • Purity≥97%
  • MDL No.MFCD07438022

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

1-(Pyridin-4-yl)butane-1,3-dione|CS-0158420

Structure of 75055-73-1

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General Information

  • CAS No. 75055-73-1
  • Cat. No. CS-0158420
  • Purity ≥97%
  • MDL No. MFCD07438022
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 4-Acetoacetylpyridine
  • SMILES C(CC(=O)C)(=O)C1=CC=NC=C1

Synthesis

  • Route1
    • Methyl isonicotinate Topiroxostat  Impurity|CS-0229355
      2459-09-8
    • null|null
      67-64-1
    • ~63%
    • 1-(Pyridin-4-yl)butane-1,3-dione|CS-0158420
      75055-73-1

    References

    • PFIZER PRODUCTS INC. Patent: WO2008/17932 A2, 2008 ; Location in patent: Page/Page column 92 ;
  • Route2

    References

    • Andres, Miriam; Bravo, Monica; Buil, Maria Antonia; Calbet, Marta; Castillo, Marcos; Castro, Jordi; Eichhorn, Peter; Ferrer, Manel; Lehner, Martin D.; Moreno, Imma; Roberts, Richard S.; Sevilla, Sara European Journal of Medicinal Chemistry, 2014 , vol. 71, p. 168 - 184
  • Route3
    • null|null
      1508657-03-1
    • ~%
    • 1-(Pyridin-4-yl)butane-1,3-dione|CS-0158420
      75055-73-1

    References

    • Korsager, Signe; Nielsen, Dennis U.; Taaning, Rolf H.; Lindhardt, Anders T.; Skrydstrup, Troels Chemistry - A European Journal, 2013 , vol. 19, # 52 p. 17687 - 17691

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   47.03
  • LogP   1.2434
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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