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4-Fluoro-3-(Trifluoromethyl)Benzylboronic Acid Pinacol Ester CAS NO 2377607-36-6
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CAS No.:2377607-36-6
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
4-Fluoro-3-(Trifluoromethyl)Benzylboronic Acid Pinacol Ester is a high-value, multi-fluorinated boronic ester building block essential for modern synthetic chemistry. This compound matters because it provides a protected, air-stable boronic acid equivalent that is crucial for constructing complex molecules via cross-coupling reactions like the Suzuki-Miyaura reaction. Pharmaceutical, agrochemical, and advanced materials researchers need it for the efficient synthesis of novel fluorinated compounds, where the unique electronic properties of the fluorine atoms can dramatically alter a molecule's biological activity, metabolic stability, and physical characteristics.
Application
- Pharmaceutical Intermediate: A key synthon in the research and development of new active pharmaceutical ingredients (APIs), particularly for candidates targeting CNS disorders, oncology, and metabolic diseases.
- Agrochemical Synthesis: Used to create novel herbicides, fungicides, and insecticides where the fluorinated aromatic moiety enhances lipophilicity and target binding.
- Liquid Crystal & OLED Material Precursor: Serves as a building block for fluorinated organic electronic materials, improving charge transport and stability in displays and lighting.
- Suzuki-Miyaura Cross-Coupling Reactions: The pinacol ester protects the boronic acid functionality, offering superior handling and stability while readily participating in palladium-catalyzed C-C bond formation with aryl/vinyl halides.
- Medicinal Chemistry & SAR Studies: Enables the systematic exploration of structure-activity relationships by introducing a specific, sterically defined fluorinated benzyl group into molecular scaffolds.
- Fluorine-18 Radiochemistry Precursor: Potential use as a non-radioactive precursor or labeling synthon in the development of Positron Emission Tomography (PET) tracers.
Basic Information
| Product Name | 4-Fluoro-3-(Trifluoromethyl)Benzylboronic Acid Pinacol Ester |
| CAS No. | 2377607-36-6 |
| Molecular Formula | C₁₄H₁₇BF₄O₂ |
| Molecular Weight | 304.09 g/mol |
| Synonyms | 4-Fluoro-3-(trifluoromethyl)benzylboronic acid pinacol ester; [4-Fluoro-3-(trifluoromethyl)phenyl]methylboronic acid pinacol ester; 2-[4-Fluoro-3-(trifluoromethyl)benzyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; (4-Fluoro-3-trifluoromethylbenzyl)boronic acid pinacol ester; 4-Fluoro-α-(trifluoromethyl)benzenemethylboronic acid pinacol ester; Pinacol [4-Fluoro-3-(trifluoromethyl)benzyl]boronate; B-[4-Fluoro-3-(trifluoromethyl)benzyl]boronic acid pinacol ester |
| EINECS | Contact for details |
Quality Control
Our 4-Fluoro-3-(Trifluoromethyl)Benzylboronic Acid Pinacol Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR (¹H, ¹³C, ¹⁹F, ¹¹B), and GC/MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our production adheres to cGMP principles where applicable, ensuring reliability for research and scale-up projects.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This material is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere (argon or nitrogen) after opening to prevent degradation. Keep away from heat and incompatible materials.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder or solid |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% (Area %) |
| Water Content (KF) | ≤ 0.5% w/w |
| Residue on Ignition | ≤ 0.1% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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