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1-[3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]-1H-Pyrazole CAS NO 852227-94-2
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CAS No.:852227-94-2
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
1-[3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]-1H-Pyrazole is a high-value, protected boronic ester derivative, a critical intermediate in modern synthetic chemistry. Its primary value lies in enabling the efficient construction of complex molecules via the versatile Suzuki-Miyaura cross-coupling reaction. This compound is essential for researchers and manufacturers in the pharmaceutical and agrochemical industries, where it is used to synthesize novel active ingredients and advanced materials. The CAS number for this compound is 852227-94-2.
Application
This protected boronic acid derivative serves as a key building block in advanced organic synthesis, with primary applications in:
- Pharmaceutical Intermediate: For the synthesis of active pharmaceutical ingredients (APIs), particularly in creating complex biaryl and heterobiaryl structures common in drug candidates.
- Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides through structure-activity relationship (SAR) studies.
- Material Science: As a precursor for organic electronic materials, such as polymers for OLEDs and organic photovoltaics, where precise molecular architecture is required.
- Ligand Synthesis: In the preparation of novel pyrazole-based ligands for catalysis and metal-organic frameworks (MOFs).
- Chemical Biology: As a tool compound for probe and sensor development, leveraging the pyrazole moiety's binding properties.
- Scale-up Process Chemistry: Employed in pilot plant and commercial-scale synthesis where the stability of the pinacol boronate ester is advantageous over free boronic acids.
Basic Information
| Item | Details |
|---|---|
| Product Name | 1-[3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]-1H-Pyrazole |
| CAS No. | 852227-94-2 |
| Molecular Formula | C15H21BN2O2 |
| Molecular Weight | 272.15 g/mol |
| Synonyms | 3-(1H-Pyrazol-1-yl)phenylboronic acid pinacol ester; (3-(1H-Pyrazol-1-yl)phenyl)boronic acid pinacol ester; 1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole; 3-Pyrazol-1-ylbenzeneboronic acid pinacol ester; 3-(1-Pyrazolyl)phenylboronic acid pinacol ester; B-[3-(1H-Pyrazol-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| EINECS | Contact for details |
Quality Control
Our 1-[3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]-1H-Pyrazole is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to ensure high chemical purity and structural integrity. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available for every lot and provided upon request to support your quality and regulatory documentation.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic and moisture-sensitive nature, the container must be kept tightly sealed under an inert atmosphere (argon or nitrogen) after opening to prevent hydrolysis and oxidation. 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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