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4-(5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazol-1-Yl)Benzonitrile CAS NO 1150620-53-3
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CAS No.:1150620-53-3
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
4-(5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazol-1-Yl)Benzonitrile is a high-value, functionalized pyrazole-boronic ester derivative that serves as a critical building block in modern synthetic chemistry. Its core value lies in enabling efficient cross-coupling reactions, particularly the Suzuki-Miyaura reaction, to construct complex molecular architectures with precision. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors who require reliable, high-purity intermediates for drug discovery and specialty chemical synthesis.
Application
- Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly for kinase inhibitors and other targeted therapies.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides requiring specific heterocyclic scaffolds.
- Material Science Research: Building block for creating organic electronic materials, such as organic light-emitting diodes (OLEDs) and semiconductors, due to its conjugated system and boronic ester functionality.
- Chemical Biology & Proteomics: Employed in the development of molecular probes and activity-based protein profiling (ABPP) reagents.
- Cross-Coupling Reactions: A versatile reagent for Suzuki-Miyaura coupling to form biaryl and heterobiaryl linkages, a fundamental transformation in medicinal chemistry.
- Ligand Synthesis: Intermediate for the preparation of complex ligands used in catalysis and metal-organic frameworks (MOFs).
Basic Information
| Product Name | 4-(5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazol-1-Yl)Benzonitrile |
| CAS No. | 1150620-53-3 |
| Molecular Formula | C₁₆H₁₈BN₃O₂ |
| Molecular Weight | 295.15 g/mol |
| Synonyms | 1-(4-Cyanophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 4-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]benzonitrile; 4-(5-(Pinacolatoboryl)-1H-pyrazol-1-yl)benzonitrile; 1H-Pyrazole-1-benzonitrile, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 1150620-53-3; 4-(5-(Pinacolboryl)-1H-pyrazol-1-yl)benzonitrile; Pyrazole-boronic ester pinacol derivative |
| EINECS | Contact for details |
Quality Control
Our production of 4-(5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazol-1-Yl)Benzonitrile adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity for sensitive applications. All materials are characterized and released against comprehensive specifications, including identity confirmation by spectroscopic methods and purity assessment by HPLC. A Certificate of Analysis (COA) detailing all critical quality attributes is provided with each shipment to support your regulatory and R&D documentation needs.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, it is recommended to store the product under an inert atmosphere (e.g., nitrogen or argon) for long-term stability and to minimize moisture uptake. Recommended storage temperature is 2-8°C for prolonged periods; allow the sealed container to equilibrate to room temperature before opening to prevent condensation.
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% |
| Single Unknown Impurity (HPLC) | ≤ 1.0% |
| Total Impurities (HPLC) | ≤ 3.0% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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