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CS-W001157 4
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Tert-butyl (S)-3-(4-aminophenyl)-2-(((benzyloxy)carbonyl)amino)propanoate

  • CAS No. 869882-72-4

  • Cat. No. CS-0563161
  • Purity≥98%
  • MDL No.None

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

Tert-butyl (S)-3-(4-aminophenyl)-2-(((benzyloxy)carbonyl)amino)propanoate|CS-0563161

Structure of 869882-72-4

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General Information

  • CAS No. 869882-72-4
  • Cat. No. CS-0563161
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₂₆N₂O₄
  • Molecular Weight 370.44
  • Synonym(s) (S)-tert-Butyl 3-(4-aminophenyl)-2-(((benzyloxy)carbonyl)amino)propanoate
  • SMILES CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)N)NC(=O)OCC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Kruppa, Michael; Imperato, Giovanni; Koenig, Burkhard Tetrahedron, 2006 , vol. 62, # 7 p. 1360 - 1364
  • Route2
    • tert-Butyl (s)-2-(((benzyloxy)carbonyl)amino)-3-(4-nitrophenyl)propanoate|CS-0674001
      869882-71-3
    • ~84%
    • Tert-butyl (S)-3-(4-aminophenyl)-2-(((benzyloxy)carbonyl)amino)propanoate|CS-0563161
      869882-72-4

    References

    • ELAN PHARMACEUTICALS, INC. Patent: WO2006/127584 A1, 2006 ; Location in patent: Page/Page column 59; 69-71 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   90.65
  • LogP   3.448
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   6

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