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CS-W001157 4
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tert-Butyl {(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl} carbamate

  • CAS No. 388071-27-0

  • Cat. No. CS-0340866
  • Molecule weight299.31
  • Purity95+%
  • MDL No.None

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

tert-Butyl {(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl} carbamate|CS-0340866

Structure of 388071-27-0

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General Information

  • CAS No. 388071-27-0
  • Cat. No. CS-0340866
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₉F₂NO₃
  • Molecular Weight 299.31
  • Synonym(s) tert-Butyl ((S)-2-(3,5-difluorophenyl)-1-((S)-oxiran-2-yl)ethyl)carbamate
  • SMILES CC(C)(OC(N[C@H]([C@H]1CO1)CC2=CC(F)=CC(F)=C2)=O)C

Synthesis

  • Route1
    • (1S,2S)-[3-Chloro-1-(3,5-difluoro-benzyl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester|CS-0341583
      388072-80-8
    • ~87%
    • tert-Butyl {(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl} carbamate|CS-0340866
      388071-27-0

    References

    • ELAN PHARMACEUTICALS, INC. Patent: WO2005/87752 A2, 2005 ; Location in patent: Page/Page column 105-106; 108 ;
  • Route2
    • null|null
      388071-26-9
    • ~%
    • tert-Butyl {(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl} carbamate|CS-0340866
      388071-27-0

    References

    • ELAN PHARMACEUTICALS, INC. Patent: WO2003/72535 A2, 2003 ; Location in patent: Page/Page column 132 ; WO 03/072535 A2
  • Route3
    • null|null
      362480-01-1
    • ~%
    • tert-Butyl {(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl} carbamate|CS-0340866
      388071-27-0

    References

    • Fustero, Santos; Cunat, Ana C.; Flores, Sonia; Baez, Claribel; Oliver, Judit; Cynamon, Michael; Guetschow, Michael; Mertens, Matthias D.; Delgado, Oscar; Tresadern, Gary; Trabanco, Andres A. Chemistry - A European Journal, 2011 , vol. 17, # 52 p. 14772 - 14784

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   50.86
  • LogP   2.7994
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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