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CS-W001157 4
Total: USD 88.00

1-Boc-4-cyanopiperidine

  • CAS No. 91419-52-2

  • Cat. No. CS-D0644
  • Purity≥97%
  • MDL No.MFCD01861223

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

1-Boc-4-cyanopiperidine|CS-D0644

Structure of 91419-52-2

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General Information

  • CAS No. 91419-52-2
  • Cat. No. CS-D0644
  • Purity ≥97%
  • MDL No. MFCD01861223
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈N₂O₂
  • Molecular Weight 210.28
  • Synonym(s) None
  • SMILES N#CC1CCN(C(=O)OC(C)(C)C)CC1

Application

1-Boc-4-cyanopiperidine serves as a versatile building block in medicinal chemistry, enabling efficient access to cyanopiperidine-containing scaffolds. The Boc group provides stability and ease of deprotection under mild acidic conditions, while the nitrile functionality offers a reliable handle for downstream transformations such as reduction, hydrolysis, or cyclization. Its compatibility with standard coupling reactions and robust bench stability make it well-suited for multi-step synthesis and API development workflows.

Synthesis

  • Route1

    References

    • ACTELION PHARMACEUTICALS LTD Patent: WO2004/2483 A1, 2004 ; Location in patent: Page/Page column 21-22; 39-40 ; WO 2004/002483 A1
  • Route2

    References

    • Giordanetto, Fabrizio; Wallberg, Andreas; Knerr, Laurent; Selmi, Nidhal; Ullah, Victoria; Thorstensson, Fredrik; Lindelo, Asa; Karlsson, Staffan; Nikitidis, Grigorios; Llinas, Antonio; Wang, Qing-Dong; Lindqvist, Anders; Hoegberg, Agot; Lindhardt, Emma; Astrand, Annika; Duker, Goeran Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 1 p. 119 - 124
  • Route3

    References

    • Augustine, John Kallikat; Atta, Rajendra Nath; Ramappa, Balakrishna Kolathur; Boodappa, Chandrakantha Synlett, 2009 , # 20 p. 3378 - 3382

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   2.15708
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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