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Methyl 2-amino-3-(4-nitrophenyl)propionate

  • CAS No. 85317-52-8

  • Cat. No. CS-0505776
  • Molecule weight224.21
  • Purity≥98%
  • MDL No.MFCD06795496

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

Methyl 2-amino-3-(4-nitrophenyl)propionate|CS-0505776

Structure of 85317-52-8

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General Information

  • CAS No. 85317-52-8
  • Cat. No. CS-0505776
  • Purity ≥98%
  • MDL No. MFCD06795496
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O₄
  • Molecular Weight 224.21
  • Synonym(s) Phenylalanine, 4-nitro-, methyl ester
  • SMILES O=C(OC)C(N)CC1=CC=C([N+]([O-])=O)C=C1

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      1991-83-9
    • ~99%
    • Methyl 2-amino-3-(4-nitrophenyl)propionate|CS-0505776
      85317-52-8

    References

    • National Chiao Tung University Patent: US2011/65905 A1, 2011 ; Location in patent: Page/Page column 5 ;
  • Route2
    • null|null
      1991-83-9
    • ~90%
    • Methyl 2-amino-3-(4-nitrophenyl)propionate|CS-0505776
      85317-52-8

    References

    • The Regents of the University of California Patent: US4622420 A1, 1986 ;
  • Route3

    References

    • Morandeau, Laurence; Remaud-Le Saec, Patricia; Ouadi, Ali; Bultel-Riviere, Karine; Mougin-Degraef, Marie; De France-Robert, Agnes; Faivre-Chauvet, Alain; Gestin, Jean-Francois Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 2 p. 109 - 123

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   95.46
  • LogP   0.6376
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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