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Diethyl 2-acetamido-2-phenethylmalonate

  • CAS No. 5463-92-3

  • Cat. No. CS-0317638
  • Molecule weight321.37
  • Purity95+%
  • MDL No.None

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

Diethyl 2-acetamido-2-phenethylmalonate|CS-0317638

Structure of 5463-92-3

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General Information

  • CAS No. 5463-92-3
  • Cat. No. CS-0317638
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₃NO₅
  • Molecular Weight 321.37
  • Synonym(s) Fingo C-3 diethyl 2-acetamido-2-phenethylmalonate
  • SMILES CCOC(C(C(OCC)=O)(NC(C)=O)CCC1=CC=CC=C1)=O

Synthesis

  • Route1

    References

    • Pavan, Michela V.; Lassiani, Lucia; Berti, Federico; Stefancich, Giorgio; Ciogli, Alessia; Gasparrini, Francesco; Mennuni, Laura; Ferrari, Flora; Escrieut, Chantal; Marco, Esther; Makovec, Francesco; Fourmy, Daniel; Varnavas, Antonio Journal of Medicinal Chemistry, 2011 , vol. 54, # 16 p. 5769 - 5785
  • Route2

    References

    • Journal of medicinal chemistry, , vol. 11, # 6 p. 1258 - 1262
  • Route3

    References

    • Zhao, Hua; Luo, Robert G.; Wei, Dean; Malhotra, Sanjay V. Enantiomer, 2002 , vol. 7, # 1 p. 1 - 3

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   81.7
  • LogP   1.6203
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   8

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