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1-(3-Fluorobenzyl)-4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-1H-Pyrazole CAS NO 864771-96-0
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CAS No.:864771-96-0
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
1-(3-Fluorobenzyl)-4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-1H-Pyrazole is a high-purity boronic ester derivative, a critical building block in modern synthetic organic chemistry. Its value lies in its role as a versatile intermediate for the Suzuki-Miyaura cross-coupling reaction, enabling the efficient construction of complex biaryl and heterobiaryl structures. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors who require reliable, high-quality intermediates for drug discovery and fine chemical synthesis.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those containing fluorinated pyrazole motifs.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides that leverage its unique fluorinated heterocyclic structure.
- Material Science Research: Serves as a building block for creating organic electronic materials, such as OLEDs and semiconductors, where precise molecular architecture is required.
- Cross-Coupling Reactions: Primarily employed in palladium-catalyzed Suzuki-Miyaura cross-coupling to form carbon-carbon bonds under mild conditions.
- Chemical Biology & Medicinal Chemistry: Utilized in the design and synthesis of molecular probes and tool compounds for target validation and biological screening.
- Custom Synthesis & Contract Manufacturing: A vital starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the global life sciences industry.
Basic Information
| Product Name | 1-(3-Fluorobenzyl)-4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-1H-Pyrazole |
| CAS No. | 864771-96-0 |
| Molecular Formula | C16H22BFN2O2 |
| Molecular Weight | 304.17 g/mol |
| Synonyms | 1-[(3-Fluorophenyl)methyl]-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-(3-fluorobenzyl)-1H-pyrazole; 1-(3-Fluorobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-(3-Fluorobenzyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 864771-96-0; 1H-Pyrazole, 1-[(3-fluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| EINECS | Contact for details |
Quality Control
Our 1-(3-Fluorobenzyl)-4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-1H-Pyrazole is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high chemical purity and structural identity. Certificates of Analysis (COA) detailing purity, assay, and impurity profiles are provided with every shipment to support your R&D 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 should be handled under an inert atmosphere (e.g., nitrogen or argon) when appropriate to maintain stability and purity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (HPLC) | Conforms |
| Identification (NMR) | Conforms |
| 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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