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2-Cyano-4-Fluorobenzeneboronic Acid Pinacol Ester CAS NO 876601-43-3
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CAS No.:876601-43-3
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2-Cyano-4-Fluorobenzeneboronic Acid Pinacol Ester is a high-purity, synthetically valuable boronic ester derivative, essential for modern cross-coupling reactions. Its primary value lies in enabling the precise construction of complex fluorinated and cyanated aromatic scaffolds, which are critical motifs in advanced material and pharmaceutical research. This compound is specifically designed for use by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and organic electronics industries, where it serves as a key building block for Suzuki-Miyaura couplings.
Application
- Pharmaceutical Intermediate: A crucial building block in the synthesis of active pharmaceutical ingredients (APIs), particularly those containing fluorinated and cyanated aromatic rings for enhanced metabolic stability and bioavailability.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the fluorine and nitrile groups can impart specific biological activity and environmental persistence profiles.
- Material Science Research: Serves as a precursor for creating functionalized organic semiconductors, liquid crystals, and metal-organic frameworks (MOFs) with tailored electronic and optical properties.
- Suzuki-Miyaura Cross-Coupling: The pinacol ester group protects the boronic acid functionality, offering improved stability and handling for palladium-catalyzed carbon-carbon bond formation under diverse reaction conditions.
- Chemical Biology & Probe Development: Employed in the synthesis of molecular probes and labeled compounds for imaging, diagnostics, and studying biological pathways.
- Custom Synthesis & Contract Manufacturing: A key starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) producing specialized fine chemicals for client projects.
Basic Information
| Product Name | 2-Cyano-4-Fluorobenzeneboronic Acid Pinacol Ester |
| CAS No. | 876601-43-3 |
| Molecular Formula | C₁₃H₁₅BFNO₂ |
| Molecular Weight | 247.08 g/mol |
| Synonyms | 4-Fluoro-2-cyanophenylboronic acid pinacol ester; (4-Fluoro-2-cyanophenyl)boronic acid pinacol ester; 2-Cyano-4-fluorophenylboronic acid pinacol ester; 2-Fluoro-4-cyanobenzeneboronic acid pinacol ester; Pinacol (4-Fluoro-2-cyanophenyl)boronate; 2-(4-Fluoro-2-cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; B-(4-Fluoro-2-cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| EINECS | Contact for details |
Quality Control
Every batch of 2-Cyano-4-Fluorobenzeneboronic Acid Pinacol Ester is manufactured and tested under a strict quality management system. Our products undergo rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure compliance with stringent purity specifications and batch-to-batch consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment and is available upon request.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed and under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain optimal purity and stability.
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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