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1-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole-3-Carbonitrile CAS NO 2158267-70-8
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CAS No.:2158267-70-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
1-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole-3-Carbonitrile is a high-value, multi-functional boronic ester derivative that serves as a critical building block in modern synthetic chemistry. Its core value lies in enabling efficient carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions, a cornerstone of pharmaceutical and advanced materials research. This compound is essential for medicinal chemists and process R&D teams developing novel active pharmaceutical ingredients (APIs), agrochemicals, and organic electronic materials.
Application
- Pharmaceutical Intermediate: Key precursor in the synthesis of complex heterocyclic compounds for drug discovery programs targeting various therapeutic areas.
- Agrochemical Synthesis: Used to construct novel pyrazole-based active ingredients for next-generation herbicides, fungicides, and insecticides.
- Material Science Research: Building block for creating organic semiconductors, liquid crystals, and metal-organic frameworks (MOFs) with tailored properties.
- Cross-Coupling Reactions: Specifically designed for use in palladium-catalyzed Suzuki-Miyaura couplings to introduce the functionalized pyrazole moiety into complex molecular architectures.
- Chemical Biology Probes: Utilized in the development of molecular probes and inhibitors for studying enzyme function and biological pathways.
- Scale-Up Process Development: Serves as a reliable intermediate for process chemistry teams optimizing routes from laboratory to pilot plant and commercial production.
Basic Information
| Item | Detail |
|---|---|
| Product Name | 1-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole-3-Carbonitrile |
| CAS No. | 2158267-70-8 |
| Molecular Formula | C11H16BN3O2 |
| Molecular Weight | 233.08 g/mol |
| Synonyms | 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-3-carbonitrile; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-methyl-1H-pyrazole-3-carbonitrile; 1-Methyl-4-(pinacolatoboryl)-1H-pyrazole-3-carbonitrile; 3-Cyano-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; Pyrazole-3-carbonitrile, 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| EINECS | Contact for details |
Quality Control
Our 1-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole-3-Carbonitrile is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity, suitable for demanding research and development applications. Each lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We adhere to cGMP principles where applicable, and our quality system is designed to meet the stringent requirements of pharmaceutical and fine chemical industries.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, the container should be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and degradation. Recommended long-term storage temperature is 2-8°C (refrigerated). Allow the sealed container to equilibrate to room temperature before opening to minimize condensation.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% |
| Water Content (KF) | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Single Unknown Impurity (HPLC) | ≤ 0.5% |
| Total Impurities (HPLC) | ≤ 2.0% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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