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CS-W001157 4
Total: USD 88.00

tert-Butyl N-[2-oxo-2-(piperazin-1-yl)ethyl]carbamate

  • CAS No. 525587-00-2

  • Cat. No. CS-0183513
  • Molecule weight243.30
  • Purity98+%
  • MDL No.None

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

tert-Butyl N-[2-oxo-2-(piperazin-1-yl)ethyl]carbamate|CS-0183513

Structure of 525587-00-2

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General Information

  • CAS No. 525587-00-2
  • Cat. No. CS-0183513
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₁N₃O₃
  • Molecular Weight 243.30
  • Synonym(s) (2-Oxo-2-piperazin-1-yl-ethyl)-carbamic acid tert-butyl ester
  • SMILES CC(C)(OC(NCC(N1CCNCC1)=O)=O)C

Synthesis

  • Route1
    • null|null
      110-85-0
    • ~68%
    • tert-Butyl N-[2-oxo-2-(piperazin-1-yl)ethyl]carbamate|CS-0183513
      525587-00-2

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2007/70865 A2, 2007 ; Location in patent: Page/Page column 25; 45-46 ;
  • Route2

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2008/32033 A1, 2008 ; Location in patent: Page/Page column 89-90 ; WO 2008/032033 A1
  • Route3
    • 1,1-Dimethylethyl N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]carbamate|CS-0647812
      671212-34-3
    • ~76%
    • tert-Butyl N-[2-oxo-2-(piperazin-1-yl)ethyl]carbamate|CS-0183513
      525587-00-2

    References

    • Scapecchi, Serena; Martini, Elisabetta; Manetti, Dina; Ghelardini, Carla; Martelli, Cecilia; Dei, Silvia; Galeotti, Nicoletta; Guandalini, Luca; Romanelli, Maria Novella; Teodori, Elisabetta Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 1 p. 71 - 85

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   70.67
  • LogP   -0.0571
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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