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CS-W001157 4
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Ethyl 4-oxo-4-(pyridin-3-yl)butanoate

  • CAS No. 59086-27-0

  • Cat. No. CS-0260753
  • Molecule weight207.23
  • Purity≥97%
  • MDL No.None

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

Ethyl 4-oxo-4-(pyridin-3-yl)butanoate|CS-0260753

Structure of 59086-27-0

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General Information

  • CAS No. 59086-27-0
  • Cat. No. CS-0260753
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₃
  • Molecular Weight 207.23
  • Synonym(s) Ethyl 4-Oxo-4-(3-pyridyl)butanoate
  • SMILES CCOC(=O)CCC(=O)C1=CN=CC=C1

Synthesis

  • Route1
    • null|null
      500-22-1
    • null|null
      140-88-5
    • ~%
    • Ethyl 4-oxo-4-(pyridin-3-yl)butanoate|CS-0260753
      59086-27-0

    References

    • US6399606 B1, ;
  • Route2
    • null|null
      54109-95-4
    • ~%
    • Ethyl 4-oxo-4-(pyridin-3-yl)butanoate|CS-0260753
      59086-27-0

    References

    • Pharmaceutical Bulletin, , vol. 2, p. 39
  • Route3

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 51, # 2 p. 138 - 151

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   56.26
  • LogP   1.6076
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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