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1-[3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]Heptan-1-One CAS NO 2096998-65-9
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CAS No.:2096998-65-9
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
1-[3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]Heptan-1-One is a high-purity, advanced pharmaceutical intermediate and versatile building block in organic synthesis. Its core value lies in its boronic ester functional group, which is essential for modern cross-coupling reactions like the Suzuki-Miyaura reaction, enabling the efficient construction of complex carbon-carbon bonds. This compound is critically needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for the development of new active ingredients and functional molecules.
Application
- Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in oncology and CNS therapeutic areas.
- Suzuki-Miyaura Cross-Coupling Reactions: Serves as a stable boronic ester reagent for palladium-catalyzed coupling with aryl halides.
- Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides.
- Organic Light-Emitting Diode (OLED) Materials: A precursor in the synthesis of advanced organic electronic materials and emissive layers.
- Ligand and Catalyst Development: Employed in the creation of novel ligands and organometallic catalysts for asymmetric synthesis.
- Polymer Chemistry: Acts as a monomer or functionalization agent for creating specialty polymers with tailored properties.
- Chemical Biology & Proteomics: Utilized in the synthesis of molecular probes and activity-based protein profiling (ABPP) reagents.
- Academic & Contract Research: Essential reagent for methodological development and discovery chemistry in research institutions and CROs.
Basic Information
| Item | Details |
|---|---|
| Product Name | 1-[3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]Heptan-1-One |
| CAS No. | 2096998-65-9 |
| Molecular Formula | C19H29BO3 |
| Molecular Weight | 316.25 g/mol |
| Synonyms | 3-(1-Oxoheptyl)phenylboronic acid pinacol ester; 1-Heptanone, 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-; 3-(1-Oxoheptyl)benzeneboronic acid pinacol ester; 3-Heptanoylphenylboronic acid pinacol ester; [3-(1-Oxoheptyl)phenyl]boronic acid pinacol ester; 3-Heptanoylphenyl BPin; 1-[3-(BPin)Phenyl]heptan-1-one |
| EINECS | Contact for details |
Quality Control
Our 1-[3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]Heptan-1-One is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and GC, to ensure high chemical purity and structural integrity suitable for sensitive cross-coupling applications. Certificates of Analysis (COA) with full traceability are provided with each shipment, and we support compliance with cGMP and ICH Q7 guidelines for advanced pharmaceutical intermediates.
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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from incompatible materials.
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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