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Benzoic Acid, 5-Fluoro-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, Methyl Ester CAS NO 1293284-58-8
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CAS No.:1293284-58-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Benzoic Acid, 5-Fluoro-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, Methyl Ester is a high-value boronic ester derivative, serving as a critical synthetic intermediate in modern organic chemistry. Its core value lies in enabling efficient Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology for constructing complex biaryl and heterobiaryl structures. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors who require reliable, high-purity building blocks for drug discovery and specialty chemical synthesis.
Application
- Pharmaceutical Intermediate: Key building block for synthesizing active pharmaceutical ingredients (APIs) containing fluorinated biaryl motifs, particularly in oncology and CNS drug candidates.
- Agrochemical Synthesis: Used in the research and production of novel herbicides and fungicides that incorporate fluorinated aromatic systems for enhanced bioactivity and stability.
- Material Science Research: Serves as a precursor for creating organic electronic materials, such as ligands for OLEDs and charge-transport molecules, where the boronate ester group facilitates precise molecular assembly.
- Chemical Biology & Probe Development: Employed in the synthesis of fluorinated molecular probes and tags for imaging and diagnostic applications.
- Cross-Coupling Reactions: Primarily utilized in palladium-catalyzed Suzuki-Miyaura cross-couplings to form carbon-carbon bonds between aromatic rings, a fundamental transformation in medicinal chemistry.
- Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for use in client-specific custom synthesis projects.
Basic Information
| Item | Details |
|---|---|
| Product Name | Benzoic Acid, 5-Fluoro-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, Methyl Ester |
| CAS No. | 1293284-58-8 |
| Molecular Formula | C14H18BFO4 |
| Molecular Weight | 280.10 g/mol |
| Synonyms | Methyl 5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; 2-Borono-5-fluorobenzoic Acid Methyl Ester, Pinacol Ester; 5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid Methyl Ester; Methyl 5-Fluoro-2-(pinacolatoboron)benzoate; (5-Fluoro-2-(methoxycarbonyl)phenyl)boronic Acid Pinacol Ester; 1293284-58-8; 5-Fluoro-2-(pinacolato-B)bromobenzene Methyl Ester (common misnomer) |
| EINECS | Contact for details |
Quality Control
Every batch of our Benzoic Acid, 5-Fluoro-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, Methyl Ester is produced and controlled under a strict quality management system. We guarantee high chemical purity and lot-to-lot consistency, with comprehensive characterization using NMR (¹H, ¹³C, ¹¹B), HPLC, and GC-MS. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with each shipment to ensure compliance with your research and development specifications.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); therefore, containers must be kept tightly sealed and consideration should be given to storage under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation of quality, especially after opening.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Assay (HPLC) | ≥97.0% |
| Purity (GC) | ≥97.0% |
| Water Content (KF) | ≤0.5% |
| 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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