Cas no 1334413-29-4 (tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate)

Tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate is a fluorinated piperidine derivative featuring a tert-butoxycarbonyl (Boc) protecting group and a hydroxyethyl side chain. The presence of difluorine substituents at the 4-position enhances its stability and influences electronic properties, making it valuable in medicinal chemistry and drug development. The Boc group offers selective deprotection under mild acidic conditions, facilitating further functionalization. The hydroxyethyl moiety provides a versatile handle for conjugation or derivatization. This compound is particularly useful as an intermediate in the synthesis of bioactive molecules, including protease inhibitors and CNS-targeting agents, due to its balanced lipophilicity and structural flexibility. Its high purity and well-defined reactivity profile ensure reliable performance in synthetic applications.
tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate structure
1334413-29-4 structure
Product Name:tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate
CAS No:1334413-29-4
MF:C12H21F2NO3
MW:265.296850919724
CID:5292151
Update Time:2026-03-10

tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate
    • SB23168
    • tert-Butyl4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate
    • Inchi: 1S/C12H21F2NO3/c1-11(2,3)18-10(17)15-6-5-12(13,14)9(8-15)4-7-16/h9,16H,4-8H2,1-3H3
    • InChI Key: PURTYQCBTCHPBP-UHFFFAOYSA-N
    • SMILES: FC1(CCN(C(=O)OC(C)(C)C)CC1CCO)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 302
  • XLogP3: 1.8
  • Topological Polar Surface Area: 49.8

tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate Pricemore >>

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Additional information on tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate

tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate (CAS No. 1334413-29-4): An Overview

tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate (CAS No. 1334413-29-4) is a versatile compound with significant applications in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structural features, including a tert-butyl group, difluoro substitution, and a hydroxyethyl moiety attached to a piperidine ring. These structural elements contribute to its potential as a valuable intermediate in the synthesis of bioactive molecules and drug candidates.

The tert-butyl group in this compound provides steric protection and enhances the stability of the molecule, making it suitable for various synthetic transformations. The difluoro substitution on the piperidine ring imparts unique electronic and steric properties, which can influence the compound's biological activity and pharmacokinetic profile. The presence of the hydroxyethyl moiety adds hydrophilic character to the molecule, potentially enhancing its solubility and bioavailability.

Recent research has highlighted the importance of tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate in the development of novel therapeutic agents. For instance, studies have shown that this compound can serve as a key intermediate in the synthesis of compounds with potent anti-inflammatory and analgesic properties. The ability to modulate specific biological targets, such as G protein-coupled receptors (GPCRs) and ion channels, makes it an attractive candidate for drug discovery programs.

In addition to its potential as a therapeutic agent, tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate has been utilized in the synthesis of radiolabeled compounds for imaging applications. The introduction of fluorine atoms into the molecule can enhance its detectability in positron emission tomography (PET) studies, providing valuable insights into disease mechanisms and treatment efficacy.

The synthesis of tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate typically involves multi-step processes that require careful control of reaction conditions to ensure high yields and purity. Common synthetic routes include nucleophilic substitution reactions, coupling reactions, and fluorination steps. Advanced techniques such as microwave-assisted synthesis and catalytic methods have been employed to optimize these processes and improve overall efficiency.

From a safety perspective, handling tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate requires adherence to standard laboratory safety protocols. While it is not classified as a hazardous material, proper personal protective equipment (PPE) should be used to minimize exposure risks. Additionally, waste disposal should be conducted in accordance with environmental regulations to prevent contamination.

In conclusion, tert-Butyl 4,4-difluoro-3-(2-hydroxyethyl)piperidine-1-carboxylate (CAS No. 1334413-29-4) is a promising compound with diverse applications in medicinal chemistry and pharmaceutical research. Its unique structural features and potential biological activities make it an important molecule for further investigation and development. As research continues to advance in this field, it is likely that new applications and insights will emerge, further solidifying its importance in the scientific community.

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