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Carbamic Acid, n-[5-Chloro-2-Fluoro-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]-, 1,1-Dimethylethyl Ester CAS NO 1269440-69-8
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CAS No.:1269440-69-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Carbamic Acid, n-[5-Chloro-2-Fluoro-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]-, 1,1-Dimethylethyl Ester is a high-value, advanced pharmaceutical intermediate featuring a pinacol boronate ester functional group. This compound is critical for enabling Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology in modern medicinal chemistry for constructing complex biaryl structures. It is primarily utilized by research institutions and pharmaceutical companies engaged in the discovery and development of new active pharmaceutical ingredients (APIs), particularly for targeted therapies.
Application
- Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel drug candidates, especially those requiring complex, fluorinated, and chlorinated biaryl scaffolds.
- Suzuki-Miyaura Cross-Coupling: The incorporated pinacol boronate ester group makes it an essential reagent for palladium-catalyzed carbon-carbon bond formation with aryl halides.
- Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to explore new chemical entities for various therapeutic areas.
- Agrochemical Synthesis: Potential intermediate in the development of advanced pesticides and herbicides that utilize similar heterocyclic architectures.
- Material Science Precursor: Can be employed in the synthesis of organic electronic materials and ligands for catalysis.
- Contract Research & Manufacturing (CRO/CMO): Supplied to organizations providing custom synthesis and process development services for the life sciences industry.
Basic Information
| Product Name | Carbamic Acid, n-[5-Chloro-2-Fluoro-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]-, 1,1-Dimethylethyl Ester |
| CAS No. | 1269440-69-8 |
| Molecular Formula | C₁₇H₂₄BClFNO₄ |
| Molecular Weight | 371.64 g/mol |
| Synonyms | tert-Butyl N-[5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate; 2-Fluoro-3-((tert-butoxycarbonyl)amino)-5-chlorophenylboronic acid pinacol ester; 5-Chloro-2-fluoro-3-((tert-butoxycarbonyl)amino)phenylboronic acid pinacol ester; BOC-Protected 3-Amino-5-chloro-2-fluorophenylboronic Acid Pinacol Ester; (3-((tert-Butoxycarbonyl)amino)-5-chloro-2-fluorophenyl)boronic acid pinacol ester; CAS 1269440-69-8 |
| EINECS | Contact for details |
Quality Control
Every batch of our Carbamic Acid, n-[5-Chloro-2-Fluoro-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]-, 1,1-Dimethylethyl Ester is manufactured and tested under strict quality management systems. We provide comprehensive analytical data to ensure the material meets the high-purity standards required for pharmaceutical R&D and scale-up. A detailed Certificate of Analysis (COA) is supplied with each shipment, confirming identity, purity, and impurity profiles.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C or as indicated on the label. This material 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 (IR) | Conforms to structure |
| Identification (HPLC) | Retention time matches reference standard |
| 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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