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CS-W001157 4
Total: USD 88.00

4-Oxo-4-(pyridin-3-yl)butanoic acid

  • CAS No. 4192-31-8

  • Cat. No. CS-0233523
  • Molecule weight179.17
  • Purity95+%
  • MDL No.None

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

4-Oxo-4-(pyridin-3-yl)butanoic acid|CS-0233523

Structure of 4192-31-8

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General Information

  • CAS No. 4192-31-8
  • Cat. No. CS-0233523
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₃
  • Molecular Weight 179.17
  • Synonym(s) Γ-OXO-3-PYRIDINEBUTYRIC ACID
  • SMILES C1=CC(=CN=C1)C(=O)CCC(=O)O

Synthesis

  • Route1
    • null|null
      54109-95-4
    • ~96%
    • 4-Oxo-4-(pyridin-3-yl)butanoic acid|CS-0233523
      4192-31-8

    References

    • Bourguignon, Jean-Jacques; Maitre, Michel; Klotz, Evelyne; Schmitt, Martine; Gobaille, Serge; Macher, Jean-Paul Patent: US2005/113366 A1, 2005 ; Location in patent: Page/Page column 8 ;
  • Route2
    • 1-(Pyridin-3-yl)ethanone Imatinib Impurity|CS-0229620
      350-03-8
    • ~%
    • 4-Oxo-4-(pyridin-3-yl)butanoic acid|CS-0233523
      4192-31-8

    References

    • Wingfield Journal of Organic Chemistry, 1959 , vol. 24, p. 872
  • Route3
    • 3-(2-Bromoacetyl)pyridine|CS-0156834
      6221-12-1
    • null|null
      996-82-7
    • ~%
    • 4-Oxo-4-(pyridin-3-yl)butanoic acid|CS-0233523
      4192-31-8

    References

    • Wingfield Journal of Organic Chemistry, 1959 , vol. 24, p. 872

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.26
  • LogP   1.1291
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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