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4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1-(2,2,2-Trifluoroethyl)-1H-Pyrazole CAS NO 1049730-42-8
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CAS No.:1049730-42-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1-(2,2,2-Trifluoroethyl)-1H-Pyrazole is a high-purity, advanced pharmaceutical intermediate and versatile building block for organic synthesis. This compound is valued for its unique trifluoroethyl-substituted pyrazole core coupled with a pinacol boronate ester functional group, enabling critical cross-coupling reactions. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for the discovery and synthesis of novel active compounds.
Application
- Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammation, and oncology.
- Suzuki-Miyaura Cross-Coupling Reactions: The pinacol boronate ester group makes it an excellent reagent for palladium-catalyzed cross-coupling to form carbon-carbon bonds, a fundamental step in constructing complex molecules.
- Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides, leveraging the biological activity of the pyrazole and trifluoroethyl motifs.
- Material Science: Serves as a precursor for synthesizing organic electronic materials, ligands for catalysts, and specialty polymers.
- Medicinal Chemistry & Drug Discovery: Employed in high-throughput screening and library synthesis for structure-activity relationship (SAR) studies.
- Contract Research & Manufacturing (CRO/CMO): Supplied to organizations providing custom synthesis and scale-up services for the life sciences industry.
Basic Information
| Item | Detail |
|---|---|
| Product Name | 4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1-(2,2,2-Trifluoroethyl)-1H-Pyrazole |
| CAS No. | 1049730-42-8 |
| Molecular Formula | C11H18BF3N2O2 |
| Molecular Weight | 278.08 g/mol |
| Synonyms | 1-(2,2,2-Trifluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole; 1H-Pyrazole, 1-(2,2,2-trifluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 4-Pinacolatoboryl-1-(2,2,2-trifluoroethyl)pyrazole; 1-(Trifluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
| EINECS | Contact for details |
Quality Control
Every batch of 4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1-(2,2,2-Trifluoroethyl)-1H-Pyrazole is manufactured and tested under a strict quality management system. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment to support your quality and regulatory requirements.
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). This product is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation. Keep away from heat and 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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