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CS-W001157 4
Total: USD 88.00

Ethyl (4-nitrobenzoyl)glycinate

  • CAS No. 7512-77-8

  • Cat. No. CS-0314569
  • Molecule weight252.22
  • Purity95+%
  • MDL No.None

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

Ethyl (4-nitrobenzoyl)glycinate|CS-0314569

Structure of 7512-77-8

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General Information

  • CAS No. 7512-77-8
  • Cat. No. CS-0314569
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O₅
  • Molecular Weight 252.22
  • Synonym(s) Ethyl 2-[(4-nitrobenzoyl)amino]acetate
  • SMILES CCOC(=O)CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • F2G LTD Patent: WO2008/62182 A1, 2008 ; Location in patent: Page/Page column 153 ;
  • Route2

    References

    • Yoo, Woo-Jin; Li, Chao-Jun Journal of the American Chemical Society, 2006 , vol. 128, # 40 p. 13064 - 13065
  • Route3

    References

    • Basavanag, Unnamatla M. V.; Dos Santos, Aurelie; El Kaim, Laurent; Gamez-Montano, Rocio; Grimaud, Laurence Angewandte Chemie - International Edition, 2013 , vol. 52, # 28 p. 7194 - 7197 Angew. Chem., 2013 , vol. 125, # 28 p. 7335 - 7338,4

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   98.54
  • LogP   0.8877
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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