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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-(4-cyanophenoxy)piperidine-1-carboxylate

  • CAS No. 333954-86-2

  • Cat. No. CS-0154739
  • Molecule weight302.37
  • Purity≥97%
  • MDL No.MFCD14155813

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

tert-Butyl 4-(4-cyanophenoxy)piperidine-1-carboxylate|CS-0154739

Structure of 333954-86-2

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General Information

  • CAS No. 333954-86-2
  • Cat. No. CS-0154739
  • Purity ≥97%
  • MDL No. MFCD14155813
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₂N₂O₃
  • Molecular Weight 302.37
  • Synonym(s) 4-(4-cyano phenoxy)piperidine-1-carboxylic acid tert-butyl ester
  • SMILES CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C#N

Synthesis

  • Route1
    • null|null
      1194-02-1
    • ~91%
    • tert-Butyl 4-(4-cyanophenoxy)piperidine-1-carboxylate|CS-0154739
      333954-86-2

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2007/106705 A1, 2007 ; Location in patent: Page/Page column 100-101 ; WO 2007/106705 A1
  • Route2
    • null|null
      1194-02-1
    • null|null
      109384-19-2
    • ~52%
    • tert-Butyl 4-(4-cyanophenoxy)piperidine-1-carboxylate|CS-0154739
      333954-86-2

    References

    • ELI LILLY AND COMPANY Patent: WO2005/61442 A1, 2005 ; Location in patent: Page/Page column 44 ; WO 2005/061442 A1
  • Route3
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • null|null
      118811-07-7
    • ~55%
    • tert-Butyl 4-(4-cyanophenoxy)piperidine-1-carboxylate|CS-0154739
      333954-86-2

    References

    • SUVEN LIFE SCIENCES LIMITED; Nirogi, Ramakrishna; Shinde, Anil Karbhari; Kambhampati, Ramasastri; Deshpande, Amol Dinakar; Dwarampudi, Adi Reddy; Gangadasari, Narasimhareddy; Saraf, Sangram Keshari; Kandikere, Vishwottam Nagaraj; Jayarajan, Pradeep; Ahmad, Ishtiyaque; Mulla, Mohmadsadik Abdulhamid; Jasti, Venkateswarlu Patent: US2014/135304 A1, 2014 ; Location in patent: Paragraph 0115-0117 ;

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   62.56
  • LogP   3.33658
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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