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CS-W001157 4
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(S)-2-((tert-Butoxycarbonyl)amino)-3-ethoxypropanoic acid

  • CAS No. 104839-00-1

  • Cat. No. CS-0198848
  • Purity≥95%
  • MDL No.None

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

(S)-2-((tert-Butoxycarbonyl)amino)-3-ethoxypropanoic acid|CS-0198848

Structure of 104839-00-1

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General Information

  • CAS No. 104839-00-1
  • Cat. No. CS-0198848
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₉NO₅
  • Molecular Weight 233.26
  • Synonym(s) (S)-N-BOC-2-AMINO-3-ETHOXY-PROPIONIC ACID
  • SMILES CCOC[C@H](NC(OC(C)(C)C)=O)C(O)=O

Synthesis

  • Route1
    • In-stock
      (S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid|CS-W015379
      3262-72-4
    • null|null
      75-03-6
    • ~9%
    • In-stock
      (S)-2-((tert-Butoxycarbonyl)amino)-3-ethoxypropanoic acid|CS-0198848
      104839-00-1

    References

    • Takeda Pharmaceutical Company Limited Patent: US2011/152273 A1, 2011 ; Location in patent: Page/Page column 66 ;
  • Route2
    • null|null
      74-96-4
    • In-stock
      (S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid|CS-W015379
      3262-72-4
    • ~%
    • In-stock
      (S)-2-((tert-Butoxycarbonyl)amino)-3-ethoxypropanoic acid|CS-0198848
      104839-00-1

    References

    • MERCK SHARP and DOHME CORP.; ALTMAN, Michael, D.; BIENSTOCK, Corey, E.; BUTCHER, John, W.; CHILDERS, Kaleen Konrad; DI FRANCESCO, Maria Emilia; DONOFRIO, Anthony; ELLIS, John Michael; FISCHER, Christian; HAIDLE, Andrew, M.; JEWELL, James, P.; KNOWLES, Sandra Lee; NORTHRUP, Alan, B.; OTTE, Ryan, D.; PETERSON, Scott, L.; SMITH, Graham Frank Patent: WO2013/52394 A1, 2013 ; Location in patent: Paragraph 00295 ;
  • Route3
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • o-Ethyl-l-serine|CS-0665867
      4775-82-0
    • ~%
    • In-stock
      (S)-2-((tert-Butoxycarbonyl)amino)-3-ethoxypropanoic acid|CS-0198848
      104839-00-1

    References

    • Catalano, John G; Deaton, David N; Furfine, Eric S; Hassell, Annie M; McFadyen, Robert B; Miller, Aaron B; Miller, Larry R; Shewchuk, Lisa M; Willard Jr., Derril H; Wright, Lois L Bioorganic and medicinal chemistry letters, 2004 , vol. 14, # 1 p. 275 - 278

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

Quality Control

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Computational Chemistry Data

  • TPSA   84.86
  • LogP   1.0008
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   5

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