Cas no 1144062-04-3 (3,4-difluoropyrrolidine)

3,4-Difluoropyrrolidine is a fluorinated heterocyclic compound featuring a pyrrolidine backbone with fluorine substituents at the 3 and 4 positions. This structural modification enhances its utility as a versatile building block in medicinal chemistry and agrochemical research. The presence of fluorine atoms imparts increased metabolic stability, lipophilicity, and bioavailability, making it valuable for the design of bioactive molecules. Its rigid yet modifiable framework allows for precise tuning of steric and electronic properties in drug candidates. The compound is particularly useful in the synthesis of fluorinated analogs of pharmaceuticals, where selective fluorination can improve binding affinity and pharmacokinetic profiles. Suitable for nucleophilic substitution and other functionalization reactions.
3,4-difluoropyrrolidine structure
3,4-difluoropyrrolidine structure
Product Name:3,4-difluoropyrrolidine
CAS No:1144062-04-3
MF:C4H7F2N
MW:107.10188794136
CID:1099702
PubChem ID:17830040
Update Time:2025-11-02

3,4-difluoropyrrolidine Chemical and Physical Properties

Names and Identifiers

    • 3,4-difluoro-Pyrrolidine
    • 3,4-difluoropyrrolidine
    • 869532-49-0
    • trans-3,4-difluoropyrrolidine
    • cis-3,4-Difluoropyrrolidine
    • PB37373
    • SB20481
    • EN300-91347
    • 1864003-23-5
    • 1144062-04-3
    • SCHEMBL1722374
    • Inchi: 1S/C4H7F2N/c5-3-1-7-2-4(3)6/h3-4,7H,1-2H2
    • InChI Key: PHFTVEADDMICLE-UHFFFAOYSA-N
    • SMILES: FC1CNCC1F

Computed Properties

  • Exact Mass: 107.05465555g/mol
  • Monoisotopic Mass: 107.05465555g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 58.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 12?2

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3,4-difluoropyrrolidine Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1144062-04-3)3,4-difluoropyrrolidine
Order Number:A1029947
Stock Status:in Stock
Quantity:10g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 15:38
Price ($):2886.0

Additional information on 3,4-difluoropyrrolidine

3,4-Difluoropyrrolidine (CAS 1144062-04-3): A Versatile Fluorinated Building Block for Pharmaceutical and Material Science

3,4-Difluoropyrrolidine (CAS 1144062-04-3) is an emerging fluorinated heterocyclic compound that has gained significant attention in pharmaceutical research and specialty chemical applications. As a fluorinated pyrrolidine derivative, this compound offers unique structural features that make it particularly valuable in drug discovery programs and advanced material development. The presence of two fluorine atoms at the 3 and 4 positions of the pyrrolidine ring creates distinctive electronic and steric properties that can significantly influence molecular interactions.

The growing interest in 3,4-difluoropyrrolidine synthesis and applications reflects broader trends in medicinal chemistry, where fluorinated compounds now represent approximately 30% of all small-molecule drugs on the market. Researchers are particularly interested in how the difluoropyrrolidine scaffold can improve drug-like properties such as metabolic stability, membrane permeability, and target binding affinity. Recent studies suggest that the 3,4-difluoropyrrolidine structure may offer advantages over mono-fluorinated analogs in certain therapeutic contexts.

From a synthetic chemistry perspective, 3,4-difluoropyrrolidine CAS 1144062-04-3 serves as a valuable intermediate for constructing more complex molecular architectures. The compound's reactivity profile allows for selective functionalization at various positions, making it a versatile fluorinated building block for medicinal chemists. Current research focuses on developing more efficient synthetic routes to 3,4-difluoropyrrolidine derivatives, with particular emphasis on asymmetric synthesis methods that can access enantiomerically pure forms of this scaffold.

The physicochemical properties of 3,4-difluoropyrrolidine contribute to its utility in drug design. The fluorine substitutions influence the molecule's dipole moment, pKa, and conformational preferences, which can be strategically exploited to optimize drug-target interactions. Computational chemistry studies of difluoropyrrolidine-containing compounds reveal interesting effects on molecular recognition and binding kinetics that are not observed with non-fluorinated analogs.

In material science applications, 3,4-difluoropyrrolidine (1144062-04-3) has shown promise as a precursor for specialty polymers and liquid crystals. The fluorine atoms introduce unique intermolecular interactions that can modulate material properties such as thermal stability, dielectric constant, and optical characteristics. Researchers are exploring how difluoropyrrolidine-based materials might be used in advanced electronic devices and optical applications.

The commercial availability of 3,4-difluoropyrrolidine CAS 1144062-04-3 has expanded in recent years to meet growing demand from pharmaceutical and chemical industries. Suppliers now offer this compound in various quantities and purity grades, with GMP-grade material becoming available for clinical-stage development programs. Analytical methods for 3,4-difluoropyrrolidine characterization typically include HPLC, GC-MS, and NMR spectroscopy to ensure quality and purity standards are met.

Safety considerations for handling 3,4-difluoropyrrolidine follow standard laboratory protocols for fluorinated organic compounds. While not classified as highly hazardous, proper personal protective equipment and ventilation are recommended when working with this material. The compound's stability profile suggests good shelf life when stored under appropriate conditions, typically in sealed containers under inert atmosphere at controlled temperatures.

Future research directions for 3,4-difluoropyrrolidine applications include exploration of its use in PROTACs (proteolysis targeting chimeras), covalent inhibitors, and other emerging drug modalities. The compound's potential in radiopharmaceuticals is also being investigated, as fluorine-18 labeled versions could have applications in PET imaging. Additionally, material scientists continue to evaluate difluoropyrrolidine-containing polymers for specialized coating and membrane applications.

For researchers considering 3,4-difluoropyrrolidine purchase, it's important to verify supplier credentials and request comprehensive analytical data. The compound's price varies depending on quantity and purity, with custom synthesis options available for specific isotopic or chiral forms. Many contract research organizations now include 3,4-difluoropyrrolidine derivatives in their catalog of building blocks for drug discovery programs.

In conclusion, 3,4-difluoropyrrolidine (CAS 1144062-04-3) represents an important addition to the toolbox of fluorinated heterocycles available to researchers. Its unique combination of structural features and physicochemical properties continues to inspire innovation across multiple scientific disciplines. As understanding of fluorinated pyrrolidine chemistry advances, we can anticipate expanded applications for this versatile compound in both life sciences and advanced materials.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1144062-04-3)3,4-difluoropyrrolidine
A1029947
Purity:99%
Quantity:10g
Price ($):2886.0
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