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CS-W001157 4
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Methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoate

  • CAS No. 65615-89-6

  • Cat. No. CS-0199685
  • Purity≥98%
  • MDL No.None

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

Methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoate|CS-0199685

Structure of 65615-89-6

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General Information

  • CAS No. 65615-89-6
  • Cat. No. CS-0199685
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀N₂O₆
  • Molecular Weight 324.33
  • Synonym(s) N-Boc-4-nitro-L-phenylalanine Methyl Ester
  • SMILES CC(C)(OC(N[C@H](C(OC)=O)CC1=CC=C([N+]([O-])=O)C=C1)=O)C

Synthesis

  • Route1

    References

    • ONCOTHYREON INC.; PETERSON, Scott; PESTANO, Linda; FOWLER, Kerry; VO, Cong, Hung Patent: WO2012/58325 A1, 2012 ; Location in patent: Page/Page column 71 ;
  • Route2
    • In-stock
      (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acid|CS-W007679
      33305-77-0
    • null|null
      74-88-4
    • ~98%
    • In-stock
      Methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoate|CS-0199685
      65615-89-6

    References

    • Hoffmann-La Roche Inc.; Chin, Jayne; Goodnow, JR., Robert A.; Hamilton, Matthew Michael; Sidduri, Achyutharao Patent: US2013/197205 A1, 2013 ; Location in patent: Paragraph 0190; 0191 ;
  • Route3

    References

    • F. HOFFMANN-LA ROCHE AG; GOODNOW Jr., Robert, Alan; HAMILTON, Matthew, Michael; SIDDURI, Achyutharao Patent: WO2013/110680 A1, 2013 ; Location in patent: Page/Page column 65; 66 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   107.77
  • LogP   2.2036
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   5

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