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CS-W001157 4
Total: USD 88.00

1-(Pyridin-3-yl)butane-1,3-dione

  • CAS No. 3594-37-4

  • Cat. No. CS-0308399
  • Molecule weight163.17
  • Purity≥95%
  • MDL No.None

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

1-(Pyridin-3-yl)butane-1,3-dione|CS-0308399

Structure of 3594-37-4

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General Information

  • CAS No. 3594-37-4
  • Cat. No. CS-0308399
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 3-Acetoacetylpyridine
  • SMILES CC(=O)CC(=O)C1=CN=CC=C1

Synthesis

  • Route1

    References

    • NOVARTIS AG; BEATTIE, David; BRUCE, Ian; COLSON, Anny-Odile; CULSHAW, Andrew James; SHARP, Thomas Patent: WO2011/95450 A1, 2011 ; Location in patent: Page/Page column 98 ; WO 2011/095450 A1
  • Route2
    • 1-(Pyridin-3-yl)ethanone Imatinib Impurity|CS-0229620
      350-03-8
    • null|null
      79-20-9
    • ~%
    • In-stock
      1-(Pyridin-3-yl)butane-1,3-dione|CS-0308399
      3594-37-4

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; HADIDA-RUAH, Sara, Sabina; ARUMUGAM, Vijayalaksmi; DENINNO, Michael, Paul; FRIEMAN, Bryan, A.; KALLEL, Edward, Adam; MILLER, Mark, Thomas; UY, Johnny; ZHOU, Jinglan Patent: WO2013/109521 A1, 2013 ; Location in patent: Paragraph 00192; 00193 ;
  • Route3
    • Methyl nicotinate, ≥99%|CS-1269198
      93-60-7
    • null|null
      67-64-1
    • ~%
    • In-stock
      1-(Pyridin-3-yl)butane-1,3-dione|CS-0308399
      3594-37-4

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; HADIDA-RUAH, Sara, Sabina; ARUMUGAM, Vijayalaksmi; DENINNO, Michael, Paul; FRIEMAN, Bryan, A.; KALLEL, Edward, Adam; MILLER, Mark, Thomas; UY, Johnny; ZHOU, Jinglan Patent: WO2013/109521 A1, 2013 ; Location in patent: Paragraph 00192; 00195 ;

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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