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4'-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)-[1,1'-Biphenyl]-4-Carbonitrile CAS NO 175691-85-7
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CAS No.:175691-85-7
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
4'-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)-[1,1'-Biphenyl]-4-Carbonitrile is a high-purity, advanced pharmaceutical intermediate and building block featuring a biphenyl core with both nitrile and boronic ester functional groups. This compound matters for its critical role in modern synthetic chemistry, particularly in Suzuki-Miyaura cross-coupling reactions, enabling the efficient construction of complex biaryl structures essential for drug discovery. It is primarily needed by R&D scientists and process chemists in the pharmaceutical, agrochemical, and material science industries for developing new active ingredients and functional materials.
Application
- Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), especially those containing complex biphenyl or heterobiaryl motifs.
- Suzuki-Miyaura Cross-Coupling Reagent: The boronic ester moiety acts as a versatile coupling partner with aryl halides or triflates to form carbon-carbon bonds under mild conditions.
- Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides that require specific biphenyl architectures.
- Material Science & OLED Development: Serves as a precursor for creating organic electronic materials, including charge-transport layers and emissive materials in OLED displays.
- Ligand & Catalyst Synthesis: Utilized for constructing sophisticated ligands for catalysis or as a scaffold in metal-organic frameworks (MOFs).
- Chemical Biology & Probe Development: The nitrile group offers a handle for further functionalization, making it useful in creating molecular probes and bio-conjugates.
Basic Information
| Product Name | 4'-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)-[1,1'-Biphenyl]-4-Carbonitrile |
| CAS No. | 175691-85-7 |
| Molecular Formula | C19H20BNO2 |
| Molecular Weight | 305.18 g/mol |
| Synonyms | [1,1'-Biphenyl]-4-carbonitrile, 4'-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-; 4-(4-Cyanophenyl)phenylboronic acid, pinacol ester; 4-Cyanobiphenyl-4'-boronic acid pinacol ester; 4-(4-Cyanophenyl)benzeneboronic acid pinacol ester; 4-CN-BPh-Bpin; 4-Cyanophenylboronic Acid Pinacol Ester (Biphenyl Derivative); 4'-Bpin-4-cyanobiphenyl; 4-(4-Boronophenyl)benzonitrile pinacol ester |
| EINECS | Contact for details |
Quality Control
Our 4'-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)-[1,1'-Biphenyl]-4-Carbonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR (1H, 13C, 11B), and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment aligns with cGMP principles for advanced pharmaceutical intermediates, ensuring reliability for your most demanding synthesis applications.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when possible to prevent hydrolysis and oxidation. Keep the container tightly sealed in a desiccator for long-term storage.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥97.0% (Area %) |
| 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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