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tert-Butyl 6-Fluoro-3-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indazole-1-Carboxylate CAS NO 1333222-21-1
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CAS No.:1333222-21-1
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
tert-Butyl 6-Fluoro-3-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indazole-1-Carboxylate is a high-value, protected indazole boronic ester derivative, serving as a critical advanced pharmaceutical intermediate for modern drug discovery. Its core value lies in enabling efficient Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology for constructing complex biaryl structures. This compound is essential for medicinal chemistry researchers and process development scientists in the pharmaceutical and agrochemical industries seeking to develop novel active ingredients.
Application
- Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in oncology, CNS disorders, and anti-inflammatory therapies.
- Medicinal Chemistry Research: Used in high-throughput screening and structure-activity relationship (SAR) studies to optimize lead compounds.
- Agrochemical Synthesis: Intermediate in the development of new herbicides, fungicides, and insecticides with enhanced efficacy.
- Material Science: Potential precursor for organic electronic materials and liquid crystals due to its rigid, functionalized indazole core.
- Cross-Coupling Reactions: Specifically designed for palladium-catalyzed Suzuki-Miyaura couplings to introduce the indazole moiety into complex molecules.
- Process Chemistry & Scale-Up: Serves as a reliable intermediate for the kilogram-to-ton scale production of active pharmaceutical ingredients (APIs).
Basic Information
| Product Name | tert-Butyl 6-Fluoro-3-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indazole-1-Carboxylate |
| CAS No. | 1333222-21-1 |
| Molecular Formula | C19H26BFN2O4 |
| Molecular Weight | 376.23 g/mol |
| Synonyms | 1-Boc-6-Fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; 6-Fluoro-3-methyl-1H-indazole-1-carboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester; tert-Butyl 6-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate; 1H-Indazole-1-carboxylic acid, 6-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester; BOC-6-Fluoro-3-methyl-5-pinacolboron-indazole; 1333222-21-1 |
| EINECS | Contact for details |
Quality Control
Our tert-Butyl 6-Fluoro-3-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indazole-1-Carboxylate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our production adheres to cGMP guidelines where applicable, ensuring reliability for research and development use.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (typically 15-25°C). The product is light-sensitive and should be handled under inert atmosphere when appropriate for prolonged exposure. Keep container tightly sealed in a dry environment to minimize moisture uptake.
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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