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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-cyano-4-fluoropiperidine-1-carboxylate

  • CAS No. 918431-93-3

  • Cat. No. CS-D0483
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 4-cyano-4-fluoropiperidine-1-carboxylate|CS-D0483

Structure of 918431-93-3

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General Information

  • CAS No. 918431-93-3
  • Cat. No. CS-D0483
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇FN₂O₂
  • Molecular Weight 228.26
  • Synonym(s) 1-Piperidinecarboxylic acid, 4-cyano-4-fluoro-, 1,1-dimethylethyl ester
  • SMILES O=C(N1CCC(F)(C#N)CC1)OC(C)(C)C

Synthesis

  • Route1
    • tert-Butyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate|CS-0678359
      918431-92-2
    • ~%
    • In-stock
      tert-Butyl 4-cyano-4-fluoropiperidine-1-carboxylate|CS-D0483
      918431-93-3

    References

    • Shipe, William D.; Barrow, James C.; Yang, Zhi-Qiang; Lindsley, Craig W.; Yang, F. Vivien; Schlegel, Kelly-Ann S.; Shu, Youheng; Rittle, Kenneth E.; Bock, Mark G.; Hartman, George D.; Tang, Cuyue; Ballard, Jeanine E.; Kuo, Yuhsin; Adarayan, Emily D.; Prueksaritanont, Thomayant; Zrada, Matthew M.; Uebele, Victor N.; Nuss, Cindy E.; Connolly, Thomas M.; Doran, Scott M.; Fox, Steven V.; Kraus, Richard L.; Marino, Michael J.; Graufelds, Valerie Kuzmick; Vargas, Hugo M.; Bunting, Patricia B.; Hasbun-Manning, Martha; Evans, Rose M.; Koblan, Kenneth S.; Renger, John J. Journal of Medicinal Chemistry, 2008 , vol. 51, # 13 p. 3692 - 3695
  • Route2

    References

    • Verniest, Guido; Piron, Karel; Van Hende, Eva; Thuring, Jan Willem; MacDonald, Gregor; Deroose, Frederik; De Kimpe, Norbert Organic and Biomolecular Chemistry, 2010 , vol. 8, # 11 p. 2509 - 2512

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   53.33
  • LogP   2.24918
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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