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CS-W001157 4
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Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperidine-1-carboxylate

  • CAS No. 226398-50-1

  • Cat. No. CS-0464839
  • Molecule weight343.41
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperidine-1-carboxylate|CS-0464839

Structure of 226398-50-1

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General Information

  • CAS No. 226398-50-1
  • Cat. No. CS-0464839
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂FNO₄S
  • Molecular Weight 343.41
  • Synonym(s) 4-(4-FLUORO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
  • SMILES CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2007/106705 A1, 2007 ; Location in patent: Page/Page column 86 ; WO 2007/106705 A1
  • Route2
    • null|null
      109384-19-2
    • ~%
    • Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperidine-1-carboxylate|CS-0464839
      226398-50-1

    References

    • Fletcher, Stephen R.; Burkamp, Frank; Blurton, Peter; Cheng, Susan K. F.; Clarkson, Robert; O'Connor, Desmond; Spinks, Daniel; Tudge, Matthew; Van Niel, Monique B.; Patel, Smita; Chapman, Kerry; Marwood, Rose; Shepheard, Sara; Bentley, Graham; Cook, Gina P.; Bristow, Linda J.; Castro, Jose L.; Hutson, Peter H.; MacLeod, Angus M. Journal of Medicinal Chemistry, 2002 , vol. 45, # 2 p. 492 - 503
  • Route3
    • null|null
      141699-59-4
    • ~%
    • Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperidine-1-carboxylate|CS-0464839
      226398-50-1

    References

    • Imamura, Shinichi; Ichikawa, Takashi; Nishikawa, Youichi; Kanzaki, Naoyuki; Takashima, Katsunori; Niwa, Shinichi; Iizawa, Yuji; Baba, Masanori; Sugihara, Yoshihiro Journal of Medicinal Chemistry, 2006 , vol. 49, # 9 p. 2784 - 2793

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.68
  • LogP   2.9989
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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