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3-Trifluoromethyl-1H-Pyrazole-4-Boronic Acid Pinacol Ester CAS NO 1218790-40-9
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CAS No.:1218790-40-9
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
3-Trifluoromethyl-1H-Pyrazole-4-Boronic Acid Pinacol Ester is a high-value organoboron building block essential for modern synthetic chemistry. Its core value lies in enabling efficient carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology for constructing complex molecules. This compound is critically needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the discovery and synthesis of novel active ingredients.
Application
- Pharmaceutical Intermediate: Key building block for synthesizing active pharmaceutical ingredients (APIs) containing the trifluoromethylpyrazole pharmacophore, which is prevalent in drugs targeting inflammation, metabolic disorders, and oncology.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and metabolic stability.
- Material Science Research: Serves as a precursor for creating advanced organic electronic materials, such as OLED emitters or charge-transport layers, where its structure allows for fine-tuning of electronic properties.
- Cross-Coupling Reactions: Primarily employed in palladium-catalyzed Suzuki-Miyaura cross-coupling to introduce the 3-trifluoromethyl-1H-pyrazol-4-yl moiety into complex aromatic and heteroaromatic systems.
- Medicinal Chemistry & Drug Discovery: A versatile scaffold for constructing diverse compound libraries for high-throughput screening and structure-activity relationship (SAR) studies.
- Chemical Biology Probes: Utilized in the synthesis of labeled compounds or molecular probes for studying biological pathways and target engagement.
Basic Information
| Product Name | 3-Trifluoromethyl-1H-Pyrazole-4-Boronic Acid Pinacol Ester |
| CAS No. | 1218790-40-9 |
| Molecular Formula | C11H16BF3N2O2 |
| Molecular Weight | 276.07 g/mol |
| Synonyms | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole; 3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid pinacol ester; 1H-Pyrazole-4-boronic acid, 3-(trifluoromethyl)-, 1,1-dimethylethyl ester; 3-Trifluoromethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; Pinacol 3-Trifluoromethyl-1H-pyrazole-4-boronate; 3-CF3-1H-Pyrazole-4-Boronic Acid Pinacol Ester; B-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]boronic acid pinacol ester |
| EINECS | Contact for details |
Quality Control
Our 3-Trifluoromethyl-1H-Pyrazole-4-Boronic Acid Pinacol Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR (1H, 13C, 19F, 11B), and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) with full analytical data are provided and available upon request to support your quality assurance and regulatory needs.
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 compound is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage 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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