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CS-W001157 4
Total: USD 88.00

3-[Benzyl-(2-ethoxycarbonyl-ethyl)-amino]-butyric acid ethyl ester

  • CAS No. 58859-66-8

  • Cat. No. CS-0055208
  • Purity95+%
  • MDL No.None

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

3-[Benzyl-(2-ethoxycarbonyl-ethyl)-amino]-butyric acid ethyl ester|CS-0055208

Structure of 58859-66-8

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General Information

  • CAS No. 58859-66-8
  • Cat. No. CS-0055208
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₇NO₄
  • Molecular Weight 321.41
  • Synonym(s) ethyl 3-[benzyl-(3-ethoxy-3-oxopropyl)amino]butanoate
  • SMILES CCOC(=O)CCN(CC1=CC=CC=C1)C(C)CC(=O)OCC

Synthesis

  • Route1
    • Ethyl 3-(benzylamino)butanoate|CS-0361483
      6335-80-4
    • null|null
      140-88-5
    • ~%
    • Diethyl 3,3'-(benzylazanediyl)dipropionate|CS-0331337
      6938-07-4
    • 3-[Benzyl-(2-ethoxycarbonyl-ethyl)-amino]-butyric acid ethyl ester|CS-0055208
      58859-66-8

    References

    • Janssen Pharmaceutica N.V. Patent: US3989707 A1, 1976 ;
  • Route2
    • Ethyl 3-(benzylamino)butanoate|CS-0361483
      6335-80-4
    • null|null
      140-88-5
    • ~33%
    • 3-[Benzyl-(2-ethoxycarbonyl-ethyl)-amino]-butyric acid ethyl ester|CS-0055208
      58859-66-8

    References

    • Lapuyade, Gerard; Schlewer, Gilbert; N'Goka, Victor; Vernieres, Jean-Claude; Chambon, Jean-Pierre; et al. European Journal of Medicinal Chemistry, 1987 , vol. 22, p. 383 - 392
  • Route3
    • null|null
      623-70-1
    • ~%
    • 3-[Benzyl-(2-ethoxycarbonyl-ethyl)-amino]-butyric acid ethyl ester|CS-0055208
      58859-66-8

    References

    • Lapuyade, Gerard; Schlewer, Gilbert; N'Goka, Victor; Vernieres, Jean-Claude; Chambon, Jean-Pierre; et al. European Journal of Medicinal Chemistry, 1987 , vol. 22, p. 383 - 392

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   55.84
  • LogP   2.7835
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   10

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