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Methyl 4-Fluoro-2-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate CAS NO 1218790-17-0
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CAS No.:1218790-17-0
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Methyl 4-Fluoro-2-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate is a high-value, multi-functional boronic ester derivative, serving as a critical advanced pharmaceutical intermediate (API) and versatile building block in organic synthesis. Its core value lies in enabling efficient Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology for constructing complex biaryl and heterobiaryl scaffolds. This compound is essential for research and development chemists in the pharmaceutical, agrochemical, and material science industries who require precise, scalable routes to novel fluorinated and boronate-containing molecules.
Application
- Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) containing fluorinated aromatic systems, particularly in oncology and central nervous system (CNS) drug discovery.
- Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides where the fluorinated biaryl motif enhances biological activity and stability.
- Material Science Precursor: Serves as a monomer or functionalizing agent in the development of advanced organic electronic materials, such as OLEDs and organic photovoltaics.
- Cross-Coupling Reactions: Primarily utilized in palladium-catalyzed Suzuki-Miyaura cross-couplings to form carbon-carbon bonds with high efficiency and functional group tolerance.
- Chemical Research & Development: A versatile reagent for medicinal chemistry and process chemistry, enabling rapid exploration of chemical space and scale-up of candidate molecules.
- Ligand and Catalyst Development: Can be employed in the synthesis of novel ligands and organometallic catalysts for asymmetric synthesis and other catalytic processes.
Basic Information
| Product Name | Methyl 4-Fluoro-2-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate |
| CAS No. | 1218790-17-0 |
| Molecular Formula | C15H20BFO4 |
| Molecular Weight | 294.13 g/mol |
| Synonyms | Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-fluoro-2-methylbenzoate; 4-Fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; 1218790-17-0; Pinacol 4-Fluoro-2-methyl-5-(methoxycarbonyl)phenylboronate; 5-Borono-4-fluoro-2-methylbenzoic acid methyl ester, pinacol ester |
| EINECS | Contact for details |
Quality Control
Our production of Methyl 4-Fluoro-2-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical characterization, including HPLC, NMR (1H, 13C, 19F, 11B), and GC-MS, to confirm identity, purity, and the absence of critical impurities. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all relevant specifications. We support compliance with REACH and other global regulatory frameworks as required.
Storage
Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry place. Recommended storage temperature is 2-8°C for long-term stability. This material is hygroscopic and easily oxidized; ensure containers are sealed immediately after use to minimize exposure to moisture and air.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 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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