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CS-W001157 4
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(3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl)glycine

  • CAS No. 54132-81-9

  • Cat. No. CS-0322952
  • Purity≥95%
  • MDL No.None

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

(3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl)glycine|CS-0322952

Structure of 54132-81-9

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General Information

  • CAS No. 54132-81-9
  • Cat. No. CS-0322952
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅NO₆
  • Molecular Weight 245.23
  • Synonym(s) Diethyl (carboxymethylamino)methylenemalonate
  • SMILES CCOC(=O)C(=CNCC(=O)O)C(=O)OCC

Synthesis

  • Route1
    • Diethyl 2-((dimethylamino)methylene)malonate|CS-0318367
      18856-68-3
    • Glycine, 99%|CS-1269057
      56-40-6
    • ~70%
    • (3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl)glycine|CS-0322952
      54132-81-9

    References

    • Gabbutt, Christopher D.; Hepworth, John D.; Heron, B. Mark; Pugh, Samantha L. Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 24 p. 2799 - 2808
  • Route2

    References

    • Alaiz, Manuel; Giron, Julio; Hidalgo, Francisco Javier; Maza, Maria Pilar de la; Millan, Francisco; et al. Synthesis, 1989 , # 7 p. 544 - 547

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   101.93
  • LogP   -0.3293
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   7

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