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4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)Phenol CAS NO 1029439-76-6
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CAS No.:1029439-76-6
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)Phenol is a high-value boronic ester derivative, a critical building block in modern synthetic chemistry. Its core value lies in enabling precise carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions, a cornerstone of pharmaceutical and advanced materials development. This compound is essential for researchers and manufacturers in pharmaceutical R&D, agrochemical synthesis, and the development of organic electronic materials.
Application
- Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those containing trifluoromethyl and phenolic motifs for enhanced bioavailability and metabolic stability.
- Agrochemical Synthesis: Used in constructing complex molecules for novel herbicides, fungicides, and insecticides, leveraging the boronic ester group for efficient coupling.
- Material Science: Building block for organic light-emitting diodes (OLEDs), liquid crystals, and polymers where the phenol and trifluoromethyl groups impart specific electronic and physical properties.
- Chemical Research & Development: A versatile reagent for medicinal chemistry and process chemistry, facilitating the rapid exploration of chemical space in drug discovery programs.
- Ligand Synthesis: Intermediate for creating sophisticated ligands used in catalysis and metal-organic frameworks (MOFs).
Basic Information
| Product Name | 4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)Phenol |
| CAS No. | 1029439-76-6 |
| Molecular Formula | C13H16BF3O3 |
| Molecular Weight | 288.07 g/mol |
| Synonyms | 3-(Trifluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenol; 2-(2-Hydroxy-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-Trifluoromethyl-4-boronic acid pinacol ester phenol; 4-Borono-3-(trifluoromethyl)phenol pinacol ester; 4-(Pinacolatoboryl)-3-(trifluoromethyl)phenol |
| EINECS | Contact for details |
Quality Control
Our 4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)Phenol is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and consistent performance for critical coupling reactions. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic (moisture-sensitive) nature, the container should be kept sealed under an inert atmosphere (e.g., nitrogen or argon) when not in use to prevent hydrolysis of the boronic ester group. Recommended long-term storage temperature: 2-8°C.
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% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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