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CS-W001157 4
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tert-Butyl (S)-(1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl)carbamate

  • CAS No. 868694-44-4

  • Cat. No. CS-0255705
  • Purity95+%
  • MDL No.MFCD25541985

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

tert-Butyl (S)-(1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl)carbamate|CS-0255705

Structure of 868694-44-4

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General Information

  • CAS No. 868694-44-4
  • Cat. No. CS-0255705
  • Purity 95+%
  • MDL No. MFCD25541985
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉IN₂O₃
  • Molecular Weight 390.22
  • Synonym(s) (S)-Tert-butyl (1-amino-3-(4-iodophenyl)-1-oxopropan-2-YL)carbamate
  • SMILES O=C(OC(C)(C)C)N[C@@H](CC1=CC=C(I)C=C1)C(N)=O

Synthesis

  • Route1
    • 2-((tert-Butoxycarbonyl)amino)-3-(4-iodophenyl)propanoic acid|CS-0612275
      103882-09-3
    • ~10%
    • tert-Butyl (S)-(1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl)carbamate|CS-0255705
      868694-44-4

    References

    • Journal of Medicinal Chemistry, , vol. 48, # 21 p. 6544 - 6548

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   81.42
  • LogP   2.2123
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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