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Ethyl 3-(benzyl(3-ethoxy-3-oxopropyl)amino)-2,2-difluoropropanoate

  • CAS No. 851314-55-1

  • Cat. No. CS-0326264
  • Purity95+%
  • MDL No.None

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

Ethyl 3-(benzyl(3-ethoxy-3-oxopropyl)amino)-2,2-difluoropropanoate|CS-0326264

Structure of 851314-55-1

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General Information

  • CAS No. 851314-55-1
  • Cat. No. CS-0326264
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₃F₂NO₄
  • Molecular Weight 343.37
  • Synonym(s) N-(3-Ethoxy-2,2-difluoro-3-oxopropyl)-N-(phenylmethyl)-beta-alanine ethyl ester
  • SMILES CCOC(=O)CCN(CC1=CC=CC=C1)CC(C(=O)OCC)(F)F

Synthesis

  • Route1

    References

    • Fujimoto, Tatsuhiko; Tomata, Yoshihide; Kunitomo, Jun; Hirozane, Mariko; Marui, Shogo Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 21 p. 6409 - 6413

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
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   55.84
  • LogP   2.6402
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   10

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