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CS-W001157 4
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Tert-butyl 4-(2-(trifluoromethyl)phenoxy)piperidine-1-carboxylate

  • CAS No. 921605-76-7

  • Cat. No. CS-0587618
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 4-(2-(trifluoromethyl)phenoxy)piperidine-1-carboxylate|CS-0587618

Structure of 921605-76-7

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General Information

  • CAS No. 921605-76-7
  • Cat. No. CS-0587618
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₂F₃NO₃
  • Molecular Weight 345.36
  • Synonym(s) 4-[2-(Trifluoromethyl)phenoxy]-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
  • SMILES CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=CC=C2C(F)(F)F

Synthesis

  • Route1

    References

    • PIERRE FABRE MEDICAMENT; Leroy, Isabelle; Dupont-Passelaigue, Elisabeth; Mialhe, Samuel; Junquero, Didier; Valeille, Karine Patent: US2013/40928 A1, 2013 ; Location in patent: Paragraph 0212; 0213 ;
  • Route2

    References

    • WO2006/130986 A1, ; Page/Page column 36-37 ; WO 2006/130986 A1
  • Route3

    References

    • WO2008/17161 A1, ; Page/Page column 28-29 ; WO 2008/017161 A1

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   4.4837
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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