Cas no 1303974-84-6 (Tert-butyl 3,3-difluoro-5-oxopiperidine-1-carboxylate)

Tert-butyl 3,3-difluoro-5-oxopiperidine-1-carboxylate is a fluorinated piperidine derivative widely used as a versatile intermediate in organic synthesis and pharmaceutical research. The tert-butyloxycarbonyl (Boc) protecting group enhances its stability and facilitates selective deprotection under mild acidic conditions. The presence of difluoromethylene and carbonyl functionalities at the 3- and 5-positions, respectively, makes it a valuable building block for constructing complex molecules, particularly in medicinal chemistry for the development of bioactive compounds. Its well-defined reactivity profile allows for efficient further functionalization, while the fluorine atoms contribute to improved metabolic stability and binding affinity in target structures. The compound is typically handled under inert conditions due to its sensitivity to moisture and strong bases.
Tert-butyl 3,3-difluoro-5-oxopiperidine-1-carboxylate structure
1303974-84-6 structure
Product Name:Tert-butyl 3,3-difluoro-5-oxopiperidine-1-carboxylate
CAS No:1303974-84-6
MF:C10H15F2NO3
MW:235.227810144424
MDL:MFCD18909864
CID:4693261
Update Time:2025-06-08

Tert-butyl 3,3-difluoro-5-oxopiperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3,3-difluoro-5-oxopiperidine-1-carboxylate
    • 3,3-Difluoro-5-oxo-piperidine-1-carboxylic acid tert-butyl ester
    • Tert-butyl 3,3-difluoro-5-oxopiperidine-1-carboxylate
    • MDL: MFCD18909864
    • Inchi: 1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-5-7(14)4-10(11,12)6-13/h4-6H2,1-3H3
    • InChI Key: VILLNTFBBDPBFG-UHFFFAOYSA-N
    • SMILES: FC1(CC(CN(C(=O)OC(C)(C)C)C1)=O)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 310
  • Topological Polar Surface Area: 46.6

Tert-butyl 3,3-difluoro-5-oxopiperidine-1-carboxylate Pricemore >>

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