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2-Bromo-6-Fluoro-4-Methylphenylboronic Acid Pinacol Ester CAS NO 2121512-27-2
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CAS No.:2121512-27-2
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2-Bromo-6-Fluoro-4-Methylphenylboronic Acid Pinacol Ester is a high-purity, synthetically valuable boronic ester derivative. This compound serves as a crucial protected boronic acid building block, offering enhanced stability and handling characteristics compared to its free acid form. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for advanced cross-coupling reactions, such as the Suzuki-Miyaura reaction, to construct complex biaryl and heterobiaryl scaffolds. The CAS number for this material is 2121512-27-2.
Application
- Pharmaceutical Intermediate: A key synthon in the research and development of active pharmaceutical ingredients (APIs), particularly for constructing fluorinated and brominated aromatic cores with therapeutic potential.
- Agrochemical Synthesis: Used in creating novel herbicides, fungicides, and insecticides where the specific halogen substitution pattern is critical for bioactivity.
- Material Science Research: Employed in the synthesis of organic electronic materials, such as ligands for OLEDs or charge-transport molecules, where precise molecular architecture is required.
- Suzuki-Miyaura Cross-Coupling: The pinacol ester group protects the boronic acid functionality, providing a stable, non-hygroscopic reagent for palladium-catalyzed carbon-carbon bond formation under various conditions.
- Chemical Library Development: Serves as a versatile building block in medicinal chemistry for generating diverse compound libraries for high-throughput screening.
- Process Chemistry & Scale-Up: Its improved stability makes it suitable for optimizing and scaling synthetic routes from laboratory to pilot plant scale.
Basic Information
| Item | Details |
|---|---|
| Product Name | 2-Bromo-6-Fluoro-4-Methylphenylboronic Acid Pinacol Ester |
| CAS No. | 2121512-27-2 |
| Molecular Formula | C₁₃H₁₇BBrFO₂ |
| Molecular Weight | 314.99 g/mol |
| Synonyms | 2-Bromo-6-fluoro-4-methylbenzeneboronic acid pinacol ester; (2-Bromo-6-fluoro-4-methylphenyl)boronic acid pinacol ester; 4,4,5,5-Tetramethyl-2-(2-bromo-6-fluoro-4-methylphenyl)-1,3,2-dioxaborolane; 2-(2-Bromo-6-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; Boronic acid, B-(2-bromo-6-fluoro-4-methylphenyl)-, 1,1-dimethylethyl ester; Pinacol (2-Bromo-6-fluoro-p-tolyl)boronate |
| EINECS | Contact for details |
Quality Control
Our 2-Bromo-6-Fluoro-4-Methylphenylboronic Acid Pinacol Ester is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. We employ advanced analytical techniques including NMR (¹H, ¹³C, ¹⁹F, ¹¹B), HPLC, and GC-MS for comprehensive characterization and purity verification. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting identity, assay, and impurity profiles.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C for long-term stability. This material is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere (nitrogen or argon) after opening to prevent degradation.
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 %) |
| Purity (NMR) | ≥ 95.0% |
| 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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