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2-(2-Cyclopropyl-4-(Trifluoromethyl)Phenyl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane CAS NO 1402226-95-2
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CAS No.:1402226-95-2
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2-(2-Cyclopropyl-4-(Trifluoromethyl)Phenyl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane is a high-purity boronic ester derivative, a critical building block in modern synthetic organic chemistry. Its value lies in enabling efficient, selective cross-coupling reactions, particularly the Suzuki-Miyaura reaction, which is fundamental for constructing complex molecular architectures. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors who require reliable, high-quality intermediates for drug discovery and specialty chemical synthesis.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), especially those containing the cyclopropyl and trifluoromethyl motifs for enhanced metabolic stability and bioavailability.
- Agrochemical Synthesis: Used in creating novel herbicides, fungicides, and insecticides where the specific phenyl substitution pattern imparts desired biological activity.
- Material Science Research: Serves as a monomer or building block for developing organic electronic materials, such as those used in OLEDs or organic photovoltaics.
- Cross-Coupling Reactions: Primarily employed in palladium-catalyzed Suzuki-Miyaura couplings to form biaryl and heterobiaryl bonds, a cornerstone of C-C bond formation.
- Medicinal Chemistry & Drug Discovery: Facilitates rapid analoging and structure-activity relationship (SAR) studies during the hit-to-lead and lead optimization phases.
- Ligand and Catalyst Development: Can be utilized to synthesize novel bidentate or monodentate ligands for asymmetric catalysis.
Basic Information
| Item | Details |
|---|---|
| Product Name | 2-(2-Cyclopropyl-4-(Trifluoromethyl)Phenyl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane |
| CAS No. | 1402226-95-2 |
| Molecular Formula | C₁₆H₂₀BF₃O₂ |
| Molecular Weight | 312.14 g/mol |
| Synonyms | 2-Cyclopropyl-4-(trifluoromethyl)phenylboronic acid pinacol ester; (2-Cyclopropyl-4-(trifluoromethyl)phenyl)boronic acid pinacol ester; 4,4,5,5-Tetramethyl-2-[2-cyclopropyl-4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane; 2-(2-Cyclopropyl-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; Pinacol (2-cyclopropyl-4-(trifluoromethyl)phenyl)boronate |
| EINECS | Contact for details |
Quality Control
Every batch of our 2-(2-Cyclopropyl-4-(Trifluoromethyl)Phenyl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane is produced and tested under strict quality management systems. We guarantee high chemical purity and lot-to-lot consistency, which is critical for reproducible research and scale-up processes. Comprehensive analytical testing, including HPLC, NMR (¹H, ¹³C, ¹¹B, ¹⁹F), and GC-MS, is performed to verify identity and purity. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting all relevant specifications.
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 compound is hygroscopic (moisture-sensitive) and must be handled under an inert atmosphere (argon or nitrogen) when opening the container for use to prevent hydrolysis and maintain stability. Keep away from strong oxidizers.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder or solid |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% |
| Water Content (KF) | ≤ 0.5% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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