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tert-Butyl5-Fluoro-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenylcarbamate CAS NO 1186637-38-6
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CAS No.:1186637-38-6
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
tert-Butyl5-Fluoro-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenylcarbamate is a high-purity, protected aniline derivative featuring a pinacol boronate ester group, making it a critical advanced intermediate in modern synthetic chemistry. Its primary value lies in enabling efficient Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology for constructing complex biaryl architectures. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and material science industries engaged in the development of novel active ingredients and functional molecules. The CAS number for this compound is 1186637-38-6.
Application
- Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those containing fluorinated biaryl motifs common in oncology and CNS drugs.
- Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides that require specific fluorinated aromatic structures.
- Material Science Research: Serves as a precursor for creating organic electronic materials, such as ligands for OLEDs and charge-transport molecules, where the boronate ester enables precise molecular assembly.
- Cross-Coupling Reactions: An essential reagent for Suzuki-Miyaura cross-coupling, facilitating carbon-carbon bond formation between aryl and heteroaryl partners under mild conditions.
- Protecting Group Strategy: The tert-butyloxycarbonyl (Boc) group protects the amine functionality, allowing for selective downstream modifications of the aromatic core.
- Library Synthesis for Drug Discovery: Enables the rapid generation of diverse compound libraries for high-throughput screening in medicinal chemistry programs.
Basic Information
| Product Name | tert-Butyl5-Fluoro-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenylcarbamate |
| CAS No. | 1186637-38-6 |
| Molecular Formula | C₁₇H₂₅BFNO₄ |
| Molecular Weight | 337.20 g/mol |
| Synonyms | Boc-Protected 5-Fluoro-2-Boronophenylamine Pinacol Ester; tert-Butyl N-[5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate; 2-((tert-Butoxycarbonyl)amino)-4-fluorophenylboronic Acid Pinacol Ester; 5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, N-Boc protected; 1186637-38-6; Boc-5-Fluoro-2-boronoaniline Pinacol Ester |
| EINECS | Contact for details |
Quality Control
Every batch of tert-Butyl5-Fluoro-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenylcarbamate 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 research and scale-up applications. A detailed Certificate of Analysis (COA) is supplied with each shipment, reporting key parameters such as assay (HPLC), identity (NMR, IR), and impurity profiles. Our quality commitment supports compliance with cGMP and ICH guidelines for advanced intermediates.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain stability and purity. Keep the container tightly sealed when not in use.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Assay (HPLC) | ≥97.0% |
| Purity (HPLC, Area %) | ≥98.0% |
| 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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