Cas no 1209780-71-1 (tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate)

tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate structure
1209780-71-1 structure
Product Name:tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate
CAS No:1209780-71-1
MF:C10H17F2NO3
MW:237.243690252304
MDL:MFCD16250751
CID:1023887
PubChem ID:56932106
Update Time:2025-07-21

tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate
    • 1-Boc-3,3-difluoro-4-hydroxypiperidine
    • 1-Piperidinecarboxylic acid, 3,3-difluoro-4-hydroxy-, 1,1-dimethylethyl ester
    • AK102234
    • ANW-62315
    • CTK8B9290
    • KB-260409
    • PB16624
    • PS-J-080
    • SureCN1965038
    • tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate
    • SY097808
    • AKOS016003907
    • (S)-1-Boc-3,3-difluoro-4-hydroxypiperidine
    • MFCD31642594
    • MFCD16250751
    • SCHEMBL1965038
    • CS-WAA0035
    • DB-344335
    • EN300-316604
    • SY344519
    • A855297
    • CS-W001335
    • 1209780-71-1
    • DS-3791
    • DTXSID80718893
    • 1-Boc-3,3-difluoropiperidin-4-ol
    • AMY14707
    • tert-butyl3,3-difluoro-4-hydroxypiperidine-1-carboxylate
    • MDL: MFCD16250751
    • Inchi: 1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h7,14H,4-6H2,1-3H3
    • InChI Key: GISYXRBCSOIMTM-UHFFFAOYSA-N
    • SMILES: FC1(CN(C(=O)OC(C)(C)C)CCC1O)F

Computed Properties

  • Exact Mass: 237.11764973g/mol
  • Monoisotopic Mass: 237.11764973g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 276
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • Density: 1.21±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (14 g/l) (25 o C),

tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate Pricemore >>

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Additional information on tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate

Introduction to Tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate (CAS No: 1209780-71-1)

Tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate (CAS No: 1209780-71-1) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound, characterized by its unique structural features, presents a promising candidate for the development of novel therapeutic agents. The presence of both fluoro and hydroxyl substituents in its molecular framework contributes to its distinct chemical properties, making it a subject of intense study for potential applications in drug design and synthesis.

The chemical structure of tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate encompasses a piperidine ring substituted with a tert-butyl group at the 1-position, a 3,3-difluoro group at the 3-position, and a hydroxyl group at the 4-position. This arrangement imparts unique electronic and steric properties to the molecule, which are crucial for its biological activity. The fluoro substituents, in particular, have been widely recognized for their ability to modulate metabolic stability and binding affinity in drug molecules.

In recent years, there has been a growing interest in the use of fluorinated compounds in pharmaceutical development due to their favorable pharmacokinetic profiles. The incorporation of fluorine atoms into drug molecules can enhance their bioavailability, metabolic stability, and binding interactions with biological targets. Tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate exemplifies this trend, as its fluorinated structure suggests potential benefits in these areas.

One of the most compelling aspects of tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate is its potential as a building block for more complex pharmacophores. The piperidine core is a common motif in many bioactive molecules, particularly those targeting central nervous system disorders and infectious diseases. By modifying this core structure with fluoro and hydroxyl groups, researchers can fine-tune the properties of the compound to achieve desired biological effects.

The synthesis of tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate involves multi-step organic reactions that require careful optimization to ensure high yield and purity. The introduction of fluorine atoms often presents challenges due to their high reactivity and sensitivity to various reaction conditions. However, advances in synthetic methodologies have made it increasingly feasible to incorporate fluorine into complex molecules with precision.

Recent studies have highlighted the importance of fluorine substitution in enhancing the efficacy of drug candidates. For instance, fluorinated piperidine derivatives have shown promise in treating neurological disorders by improving blood-brain barrier penetration. The unique structural features of tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate make it a valuable asset in such research efforts.

The hydroxyl group in the molecule also plays a critical role in determining its biological activity. Hydroxyl groups are known to participate in hydrogen bonding interactions with biological targets, which can influence both potency and selectivity. In the context of drug design, strategic placement of hydroxyl groups can enhance binding affinity while minimizing off-target effects.

Ongoing research continues to explore the potential applications of tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate in various therapeutic areas. Its structural versatility allows for further modifications that could lead to novel drug candidates with improved pharmacological profiles. Collaborative efforts between synthetic chemists and biologists are essential to fully harness the therapeutic potential of this compound.

The development of new pharmaceuticals is a complex process that requires extensive characterization and validation. Tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate, with its unique structural features and promising biological properties, represents an exciting opportunity for innovation in drug discovery. As research progresses, it is expected that this compound will play a significant role in the development of next-generation therapeutics.

In conclusion, tert-butyl 3,3-difluoro-4-hydroxy-piperidine-1-carboxylate (CAS No: 1209780-71-1) is a compound of great interest in pharmaceutical chemistry. Its distinctive structure and functional groups make it a valuable candidate for further exploration in drug development. With continued research and innovation, this compound has the potential to contribute significantly to advancements in medicine.

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