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CS-W001157 4
Total: USD 88.00

Tert-butyl 4-cyano-4-(2-fluorophenyl)piperidine-1-carboxylate

  • CAS No. 726198-18-1

  • Cat. No. CS-0455284
  • Molecule weight304.36
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 4-cyano-4-(2-fluorophenyl)piperidine-1-carboxylate|CS-0455284

Structure of 726198-18-1

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General Information

  • CAS No. 726198-18-1
  • Cat. No. CS-0455284
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₁FN₂O₂
  • Molecular Weight 304.36
  • Synonym(s) 1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE
  • SMILES CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC=CC=C2F

Synthesis

  • Route1
    • null|null
      773837-37-9
    • null|null
      954125-28-1
    • ~77%
    • Tert-butyl 4-cyano-4-(2-fluorophenyl)piperidine-1-carboxylate|CS-0455284
      726198-18-1

    References

    • Bandarage, Upul K.; Davies, Robert J. Tetrahedron Letters, 2011 , vol. 52, # 3 p. 469 - 469
  • Route2

    References

    • Dhar, T. G. Murali; Nagarathnam, Dhanapalan; Marzabadi, Mohammad R.; Lagu, Bharat; Wong, Wai C.; Chiu, George; Tyagarajan, Sriram; Miao, Shou Wu; Zhang, Fengqi; Sun, Wanying; Tian, Dake; Shen, Quanrong; Zhang, Jack; Wetzel, John M.; Forray, Carlos; Chang, Raymond S. L.; Broten, Theodore P.; Schorn, Terry W.; Chen, Tsing Bao; O'Malley, Stacy; Ransom, Richard; Schneck, Kathryn; Bendesky, Robert; Harrell, Charles M.; Vyas, Kamlesh P.; Zhang, Kanyin; Gilbert, John; Pettibone, Douglas J.; Patane, Michael A.; Bock, Mark G.; Freidinger, Roger M.; Gluchowski, Charles Journal of Medicinal Chemistry, 1999 , vol. 42, # 23 p. 4778 - 4793
  • Route3

    References

    • Xie, Jian-Shu; Huang, Charles Q.; Fang, Yan-Yan; Zhu, Yun-Fei Tetrahedron, 2004 , vol. 60, # 22 p. 4875 - 4878

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   3.61798
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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