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CS-W001157 4
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tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate

  • CAS No. 1215071-17-2

  • Cat. No. CS-W001338
  • Molecule weight235.23
  • Purity≥95%
  • MDL No.MFCD16140378

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

tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate|CS-W001338

Structure of 1215071-17-2

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General Information

  • CAS No. 1215071-17-2
  • Cat. No. CS-W001338
  • Purity ≥95%
  • MDL No. MFCD16140378
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅F₂NO₃
  • Molecular Weight 235.23
  • Synonym(s) 1-Piperidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-diMethylethyl ester
  • SMILES O=C(N1CCC(=O)C(C1)(F)F)OC(C)(C)C

Description

tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate is a sterically hindered, bench-stable piperidine derivative featuring two fluorine atoms at the C3 position and a ketone at C4. This electron-deficient scaffold integrates readily into complex heterocyclic architectures, enabling efficient access to fluorinated bioactive molecules in medicinal chemistry campaigns.

Application

tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate serves as a versatile fluorinated piperidine building block, enabling efficient access to difluorinated heterocyclic scaffolds. The 3,3-difluoro substitution enhances metabolic stability and modulates basicity, while the 4-oxo group provides a reactive handle for reductive amination, nucleophilic addition, or cyclization. Bench-stable and readily purified by standard chromatography, it functions effectively in medicinal chemistry campaigns requiring constrained, fluorinated amine motifs.

Synthesis

  • Route1

    References

    • WO2012/66488 A2, ; Page/Page column 63-64 ; WO 2012/066488 A2
  • Route2

    References

    • WO2012/66488 A2, ; WO 2012/066488 A2
  • Route3
    • 1-Benzyl-3,3-difluoropiperidin-4-ol|CS-W001352
      1239596-53-2
    • ~%
    • In-stock
      tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate|CS-W001338
      1215071-17-2

    References

    • WO2012/66488 A2, ; WO 2012/066488 A2

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.8316
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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