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5-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)-1H-Pyrazole CAS NO 1573171-39-7
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CAS No.:1573171-39-7
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
5-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)-1H-Pyrazole is a high-value, multi-functional heterocyclic building block designed for advanced synthetic chemistry. This compound is critical for facilitating efficient carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions, enabling the rapid construction of complex molecular architectures. It is primarily utilized by research scientists and process chemists in the pharmaceutical, agrochemical, and materials science industries for developing novel active ingredients and functional materials.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those containing trifluoromethylpyrazole motifs for enhanced metabolic stability and bioavailability.
- Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, leveraging the boryl group for efficient derivatization.
- Material Science Research: Serves as a building block for creating novel organic electronic materials, such as OLED emitters or charge-transport layers, where the boronic ester facilitates polymerization or functionalization.
- Chemical Biology & Probe Development: Employed in the creation of molecular probes and tags for studying biological processes, utilizing the pyrazole core for target binding and the boryl group for further conjugation.
- Cross-Coupling Reactions: Specifically designed as a versatile coupling partner in palladium-catalyzed Suzuki-Miyaura reactions to introduce the 3-(trifluoromethyl)-1H-pyrazole moiety into complex molecules.
- Library Synthesis for Drug Discovery: Enables high-throughput parallel synthesis for creating diverse compound libraries in medicinal chemistry campaigns aimed at hit identification and lead optimization.
Basic Information
| Product Name | 5-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)-1H-Pyrazole |
| CAS No. | 1573171-39-7 |
| Molecular Formula | C10H14BF3N2O2 |
| Molecular Weight | 262.04 g/mol |
| Synonyms | 3-(Trifluoromethyl)-1H-pyrazole-5-boronic acid, pinacol ester; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole; 3-(Trifluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1H-Pyrazole-5-boronic acid, 3-(trifluoromethyl)-, pinacol ester; 3-Trifluoromethyl-1H-pyrazole-5-boronic acid pinacol ester; (3-(Trifluoromethyl)-1H-pyrazol-5-yl)boronic acid pinacol ester |
| EINECS | Contact for details |
Quality Control
Our 5-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)-1H-Pyrazole is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure compliance with exacting R&D and process chemistry standards. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This product is hygroscopic (moisture-sensitive) and light-sensitive; containers must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.
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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