Cas no 1150114-63-8 (2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid)

2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic acid is a versatile boronic acid derivative widely used in Suzuki-Miyaura cross-coupling reactions for the synthesis of complex heterocyclic compounds. Its pyridine core, combined with fluorine and trifluoromethyl substituents, enhances reactivity and stability, making it valuable in pharmaceutical and agrochemical research. The boronic acid group facilitates efficient coupling with aryl halides, enabling the construction of biaryl structures. The electron-withdrawing effects of the fluorine and trifluoromethyl groups further improve selectivity and reaction yields. This compound is particularly useful in the development of fluorinated pyridine-based scaffolds, which are critical in drug discovery and material science applications. Its high purity and consistent performance ensure reliable results in synthetic workflows.
2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid structure
1150114-63-8 structure
Product Name:2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid
CAS No:1150114-63-8
MF:C6H4BF4NO2
MW:208.9060754776
MDL:MFCD12025974
CID:857508
PubChem ID:46739473
Update Time:2025-06-08

2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid Chemical and Physical Properties

Names and Identifiers

    • (2-Fluoro-6-(trifluoromethyl)pyridin-3-yl)boronic acid
    • (2-Fluoro-6-(trifluoromethyl)-pyridin-3-yl)boronic acid
    • 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic acid
    • [2-fluoro-6-(trifluoromethyl)pyridin-3-yl]boronic acid
    • 1150114-63-8
    • AKOS015853474
    • [2-fluoro-6-(trifluoromethyl)-3-pyridyl]boronic acid
    • DTXSID80675078
    • CS-0174127
    • (2-Fluoro-6-(trifluoromethyl)pyridin-3-yl)boronicacid
    • 2-fluoro-6-(trifluoromethyl)pyridin-3-ylboronic acid
    • Boronic acid, B-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]-
    • AT15192
    • BS-19332
    • MFCD12025974
    • 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid
    • MDL: MFCD12025974
    • Inchi: 1S/C6H4BF4NO2/c8-5-3(7(13)14)1-2-4(12-5)6(9,10)11/h1-2,13-14H
    • InChI Key: JLKCXRRPVZUFJB-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(B(O)O)=C(N=1)F)(F)F

Computed Properties

  • Exact Mass: 209.02700
  • Monoisotopic Mass: 209.0271212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 201
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 53.4?2

Experimental Properties

  • PSA: 53.35000
  • LogP: -0.08070

2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid

Comprehensive Overview of 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid (CAS No. 1150114-63-8)

2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid (CAS No. 1150114-63-8) is a highly specialized boronic acid derivative widely utilized in pharmaceutical and agrochemical research. This compound belongs to the pyridine boronic acid family, a class of molecules known for their versatility in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern organic synthesis. The presence of both fluoro and trifluoromethyl groups enhances its reactivity and selectivity, making it a valuable building block for drug discovery and material science applications.

In recent years, the demand for fluorinated pyridine derivatives like 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid has surged due to their unique physicochemical properties. Researchers are particularly interested in how the trifluoromethyl group improves metabolic stability and bioavailability in drug candidates. This aligns with current trends in medicinal chemistry, where fluorine-containing compounds are increasingly explored for their potential in treating diseases such as cancer and neurodegenerative disorders. The compound’s boronic acid moiety further expands its utility, enabling precise modifications in molecular structures.

The synthesis of 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid involves multi-step processes, often starting from commercially available pyridine precursors. Advanced techniques like palladium-catalyzed borylation are employed to ensure high purity and yield. Analytical methods such as NMR spectroscopy and HPLC are critical for quality control, as even minor impurities can affect performance in downstream applications. This attention to detail reflects the compound’s importance in high-value industries.

One of the most searched questions about this compound is: "What are the applications of 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid in drug development?" The answer lies in its role as a key intermediate for small-molecule inhibitors and bioconjugates. Its ability to form stable covalent bonds with biomolecules makes it ideal for designing targeted therapies. Additionally, the agrochemical sector leverages its properties to develop next-generation pesticides with improved environmental profiles.

Another trending topic is the sustainability of fluorochemicals. While 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid offers significant advantages, researchers are also investigating greener synthesis routes to minimize waste and energy consumption. This aligns with global efforts to adopt green chemistry principles in industrial processes. Innovations like flow chemistry and catalytic recycling are being explored to enhance the compound’s eco-friendly profile.

Storage and handling of 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid require adherence to standard laboratory protocols. It is typically stored under inert conditions to prevent degradation, and its hygroscopic nature necessitates moisture-free environments. These precautions ensure long-term stability, a critical factor for researchers relying on consistent performance in sensitive experiments.

The future of 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid looks promising, with ongoing studies exploring its potential in material science and electronics. Its unique electronic properties make it a candidate for organic semiconductors and photovoltaic materials. As interdisciplinary research grows, this compound is poised to play a pivotal role in advancing technologies beyond traditional chemical applications.

In summary, 2-Fluoro-6-(trifluoromethyl)pyridine-3-boronic Acid (CAS No. 1150114-63-8) is a multifaceted compound with broad applications in cutting-edge research. Its combination of fluorine and boronic acid functionalities offers unmatched versatility, addressing both current challenges and future opportunities in science and industry.

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