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1-Benzylpiperidin-3-one

  • CAS No. 40114-49-6

  • Cat. No. CS-0135334
  • Purity≥98%
  • MDL No.MFCD00023277

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

1-Benzylpiperidin-3-one|CS-0135334

Structure of 40114-49-6

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General Information

  • CAS No. 40114-49-6
  • Cat. No. CS-0135334
  • Purity ≥98%
  • MDL No. MFCD00023277
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO
  • Molecular Weight 189.25
  • Synonym(s) N-Benzyl-3-piperidinone
  • SMILES O=C1CN(CC2=CC=CC=C2)CCC1

Synthesis

  • Route1
    • 1-Benzylpiperidine-3,3-diol hydrobromide|CS-0668611
      61995-16-2
    • ~99%
    • 1-Benzylpiperidin-3-one|CS-0135334
      40114-49-6

    References

    • Schering Corporation Patent: US2008/4286 A1, 2008 ; Location in patent: Page/Page column 15; 16 ; US 20080004286 A1
  • Route2

    References

    • Liang, Mary; Saiz, Cecilia; Pizzo, Chiara; Wipf, Peter Tetrahedron Letters, 2009 , vol. 50, # 49 p. 6810 - 6813
  • Route3

    References

    • Balsamo; Lapucci; Macchia; et al. European Journal of Medicinal Chemistry, 1981 , vol. 16, # 2 p. 163 - 169

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   20.31
  • LogP   1.8515
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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