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CS-W001157 4
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(S)-4-Benzyl-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one Aprepitant Impurity

  • CAS No. 327623-36-9

  • Cat. No. CS-0379909
  • Purity≥98%
  • MDL No.None

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

(S)-4-Benzyl-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one Aprepitant Impurity|CS-0379909

Structure of 327623-36-9

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General Information

  • CAS No. 327623-36-9
  • Cat. No. CS-0379909
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₁₉F₆NO₃
  • Molecular Weight 447.37
  • Synonym(s) Argatroban 4-Phenylmethyl
  • SMILES O=C(N(CCO1)CC2=CC=CC=C2)[C@@H]1O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C

Synthesis

  • Route1
    • 4-Benzylmorpholine-2,3-dione|CS-0325263
      110843-90-8
    • ~%
    • (S)-4-Benzyl-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one Aprepitant Impurity|CS-0379909
      327623-36-9

    References

    • Brands, Karel M. J.; Payack, Joseph F.; Rosen, Jonathan D.; Nelson, Todd D.; Candelario, Alexander; Huffman, Mark A.; Zhao, Matthew M.; Li, Jing; Craig, Bridgette; Song, Zhiguo J.; Tschaen, David M.; Hansen, Karl; Devine, Paul N.; Pye, Philip J.; Rossen, Kai; Dormer, Peter G.; Reamer, Robert A.; Welch, Christopher J.; Mathre, David J.; Tsou, Nancy N.; McNamara, James M.; Reider, Paul J. Journal of the American Chemical Society, 2003 ,  vol. 125,  # 8  p. 2129 - 2135

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   38.77
  • LogP   5.1869
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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