Cas no 886510-21-0 (3-Fluoro-2-(trifluoromethyl)pyridine)

3-Fluoro-2-(trifluoromethyl)pyridine is a fluorinated pyridine derivative characterized by its unique trifluoromethyl and fluorine substituents, which enhance its reactivity and stability. This compound is widely utilized as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients requiring selective fluorination. Its electron-withdrawing properties make it valuable for modifying molecular frameworks to improve metabolic stability and bioavailability. The presence of both fluorine and trifluoromethyl groups also facilitates regioselective functionalization, enabling precise structural modifications. Suitable for cross-coupling reactions and nucleophilic substitutions, this compound is a key building block in advanced organic synthesis. High purity grades ensure consistent performance in research and industrial applications.
3-Fluoro-2-(trifluoromethyl)pyridine structure
886510-21-0 structure
Product Name:3-Fluoro-2-(trifluoromethyl)pyridine
CAS No:886510-21-0
MF:C6H3F4N
MW:165.08833527565
MDL:MFCD08437598
CID:1926927
PubChem ID:23321201
Update Time:2025-05-20

3-Fluoro-2-(trifluoromethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 3-fluoro-2-(trifluoromethyl)pyridine
    • 3-Fluoro-2-trifluoromethylpyridine
    • SureCN9065844
    • PB14579
    • 3-fluoranyl-2-(trifluoromethyl)pyridine
    • 2-TRIFLUOROMETHYL-3-FLUOROPYRIDINE
    • KB-236061
    • C6H3F4N
    • AK165252
    • FCH859451
    • STL557345
    • BBL103535
    • 3-Fluoro-2-(trifluoromethyl);pyridine
    • PC250005
    • A803089
    • 3-Fluoro-2-(trifluoromethyl)pyridine (ACI)
    • 3-Fluoro-2-(trifluoromethyl)pyridine
    • MDL: MFCD08437598
    • Inchi: 1S/C6H3F4N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
    • InChI Key: OQNWCFXTGANWQI-UHFFFAOYSA-N
    • SMILES: FC1C(C(F)(F)F)=NC=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 133
  • XLogP3: 1.9
  • Topological Polar Surface Area: 12.9

Experimental Properties

  • Density: 1.384?g/mL?at 25?°C
  • Boiling Point: 113.5±35.0℃ (760 Torr)
  • Flash Point: Fahrenheit: 116.6 ° f < br / > Celsius: 47 ° C < br / >
  • Refractive Index: n20/D 1.409

3-Fluoro-2-(trifluoromethyl)pyridine Security Information

3-Fluoro-2-(trifluoromethyl)pyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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Alichem
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3-Fluoro-2-(trifluoromethyl)pyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfur tetrafluoride ;  -196 °C → rt
1.2 Reagents: Hydrofluoric acid ;  4 d, 75 °C; 75 °C → rt
1.3 Reagents: Ammonium hydroxide Solvents: Water ;  rt
Reference
Deoxofluorination of (Hetero)aromatic Acids
Trofymchuk, Serhii; Bugera, Maksym Ya.; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; et al, Journal of Organic Chemistry, 2020, 85(5), 3110-3124

3-Fluoro-2-(trifluoromethyl)pyridine Raw materials

3-Fluoro-2-(trifluoromethyl)pyridine Preparation Products

Additional information on 3-Fluoro-2-(trifluoromethyl)pyridine

Research Briefing on 3-Fluoro-2-(trifluoromethyl)pyridine (CAS: 886510-21-0) in Chemical Biology and Pharmaceutical Applications

3-Fluoro-2-(trifluoromethyl)pyridine (CAS: 886510-21-0) is a fluorinated pyridine derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique physicochemical properties and versatile applications. This compound, characterized by the presence of both fluorine and trifluoromethyl groups on the pyridine ring, exhibits enhanced metabolic stability, lipophilicity, and bioavailability, making it a valuable scaffold in drug discovery and development. Recent studies have explored its potential as a building block for bioactive molecules, particularly in the design of kinase inhibitors, antiviral agents, and agrochemicals.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers investigated the role of 3-Fluoro-2-(trifluoromethyl)pyridine as a key intermediate in the synthesis of novel Bruton's tyrosine kinase (BTK) inhibitors. The study demonstrated that the incorporation of this moiety significantly improved the binding affinity and selectivity of the inhibitors, leading to enhanced therapeutic efficacy in preclinical models of autoimmune diseases. The researchers utilized a combination of molecular docking and X-ray crystallography to elucidate the structural basis of these interactions, providing valuable insights for future drug design efforts.

Another notable application of 3-Fluoro-2-(trifluoromethyl)pyridine was reported in a 2022 ACS Chemical Biology article, where it was employed as a fluorinated analog in the development of positron emission tomography (PET) tracers. The study highlighted the compound's ability to serve as a radiolabeling precursor, enabling the visualization of target proteins in vivo with high specificity. This advancement holds promise for the non-invasive monitoring of disease progression and treatment response in oncology and neurology.

Recent synthetic methodologies have also focused on optimizing the production of 3-Fluoro-2-(trifluoromethyl)pyridine to meet the growing demand in pharmaceutical and agrochemical industries. A 2023 Organic Process Research & Development paper described a scalable and cost-effective route for its synthesis, employing continuous flow chemistry to achieve high yields and purity. This innovation addresses previous challenges associated with the large-scale preparation of fluorinated pyridines, paving the way for broader industrial applications.

In conclusion, 3-Fluoro-2-(trifluoromethyl)pyridine (CAS: 886510-21-0) continues to be a pivotal compound in chemical biology and pharmaceutical research. Its unique structural features and diverse applications underscore its importance in the development of next-generation therapeutics and imaging agents. Ongoing research efforts are expected to further expand its utility, particularly in the realms of targeted drug delivery and precision medicine.

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