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CS-W001157 4
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tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate

  • CAS No. 211108-50-8

  • Cat. No. CS-W000521
  • Molecule weight217.24
  • Purity≥96%
  • MDL No.MFCD10566554

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

tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate|CS-W000521

Structure of 211108-50-8

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General Information

  • CAS No. 211108-50-8
  • Cat. No. CS-W000521
  • Purity ≥96%
  • MDL No. MFCD10566554
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆FNO₃
  • Molecular Weight 217.24
  • Synonym(s) tert-Butyl 3-Fluoro-4-oxo-1-piperidinecarboxylate
  • SMILES FC1CN(CCC1=O)C(=O)OC(C)(C)C

Description

tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate features a fluorinated piperidine core with a ketone at C4 and a robust tert-butoxycarbonyl group at N1. This stable, bench-ready building block integrates seamlessly into medicinal chemistry campaigns requiring stereochemically defined heterocycles with enhanced metabolic stability and favorable lipophilicity profiles.

Application

tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated piperidine scaffolds. The carbamate group provides stability and ease of purification, while the 3-fluoro and 4-oxo functionalities support diverse transformations including nucleophilic substitution, reductive amination, and heterocycle formation. Its compatibility with standard synthetic workflows makes it ideal for constructing bioactive molecules in drug discovery programs.

Synthesis

  • Route1
    • tert-Butyl 4-((trimethylsilyl)oxy)-5,6-dihydropyridine-1(2H)-carboxylate|CS-W001500
      211108-48-4
    • ~10%
    • In-stock
      tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate|CS-W000521
      211108-50-8

    References

    • ARRAY BIOPHARMA INC. Patent: WO2008/124323 A1, 2008 ; Location in patent: Page/Page column 40 ; WO 2008/124323 A1
  • Route2

    References

    • WO2004/5256 A2, ; Page 28 ; WO 2004/005256 A2
  • Route3
    • null|null
      79099-07-3
    • ~%
    • In-stock
      tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate|CS-W000521
      211108-50-8

    References

    • Bioorganic and Medicinal Chemistry, , vol. 11, # 23 p. 5229 - 5223

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319-H411
Precautionary Statements : P264-P273-P280-P391-P501

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.5344
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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