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Methyl 3-(tert-Butyldimethylsilyloxy)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate CAS NO 1218789-68-4
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CAS No.:1218789-68-4
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Methyl 3-(tert-Butyldimethylsilyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is a sophisticated bifunctional organic building block that combines a protected phenolic hydroxyl group with a boronic ester moiety. This compound is of critical importance in modern synthetic chemistry, particularly for Suzuki-Miyaura cross-coupling reactions, enabling the efficient construction of complex biaryl and heterobiaryl structures. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and advanced materials.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of complex drug candidates, especially those containing biphenyl or phenolic ether scaffolds.
- Agrochemical Synthesis: Used to construct novel active ingredients for crop protection products through palladium-catalyzed cross-coupling.
- Material Science Research: Serves as a monomer or building block for creating advanced organic electronic materials, such as OLEDs or organic semiconductors.
- Ligand and Catalyst Development: Employed in the preparation of specialized ligands and organometallic catalysts.
- Chemical Biology Probes: Useful for synthesizing tagged molecules or probes for studying biological systems.
- Library Synthesis: Enables the rapid generation of diverse compound libraries for high-throughput screening in drug discovery.
Basic Information
| Item | Details |
|---|---|
| Product Name | Methyl 3-(tert-Butyldimethylsilyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| CAS No. | 1218789-68-4 |
| Molecular Formula | C20H33BO5Si |
| Molecular Weight | 392.37 g/mol |
| Synonyms | 3-[(tert-Butyldimethylsilyl)oxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; Methyl 3-((tert-butyldimethylsilyl)oxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; 5-Pinacolatoboron-3-TBDMS-protected methyl benzoate; 3-TBDMS-O-5-Bpin Methyl Benzoate; Benzoic acid, 3-[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester |
| EINECS | Contact for details |
Quality Control
Our Methyl 3-(tert-Butyldimethylsilyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR (1H, 13C, 11B), HPLC, and GC to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to support your quality assurance and regulatory documentation needs.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C under an inert atmosphere (e.g., nitrogen or argon) due to its moisture-sensitive and light-sensitive nature. Allow the container to reach room temperature before opening to minimize moisture ingress.
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% |
| Water Content (KF) | ≤ 0.5% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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