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n-(3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethyl)Phenyl)Acetamide CAS NO 885044-50-8
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CAS No.:885044-50-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
n-(3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethyl)Phenyl)Acetamide is a high-purity, advanced pharmaceutical intermediate and versatile building block for organic synthesis. Its core value lies in the combination of a protected boronic ester group and a trifluoromethyl-substituted aromatic ring, enabling efficient cross-coupling reactions and the introduction of lipophilic, metabolically stable motifs. This compound is essential for researchers and manufacturers in medicinal chemistry, particularly those developing novel active pharmaceutical ingredients (APIs) in areas like oncology and central nervous system (CNS) disorders.
Application
- Pharmaceutical Intermediate: A critical building block in the synthesis of complex drug candidates, especially those targeting protein kinases and other enzymes.
- Suzuki-Miyaura Cross-Coupling Reactions: The pinacol boronate ester moiety serves as a key reagent for forming carbon-carbon bonds with aryl halides, a fundamental step in constructing biaryl structures common in modern pharmaceuticals.
- Medicinal Chemistry & Drug Discovery: Used in lead optimization to incorporate the trifluoromethyl group, which can enhance a compound's metabolic stability, lipophilicity, and binding affinity.
- Agrochemical Research: Employed in the development of new herbicides and pesticides, where the trifluoromethyl group is a common feature for improving biological activity.
- Material Science Precursor: Potential use in synthesizing organic electronic materials or ligands for catalysts, leveraging its unique electronic properties.
- Chemical Biology Probes: Useful for creating labeled molecules or probes to study biological pathways and protein interactions.
Basic Information
| Product Name | n-(3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethyl)Phenyl)Acetamide |
| CAS No. | 885044-50-8 |
| Molecular Formula | C15H19BF3NO3 |
| Molecular Weight | 329.12 g/mol |
| Synonyms | N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]acetamide; 3'-Acetamido-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-boronic acid pinacol ester; 2-Methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]acetamide (common name variant); Acetamide, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-; 885044-50-8; Boric acid, B-[3-(acetylamino)-5-(trifluoromethyl)phenyl]-, 4,4,5,5-tetramethyl-1,3,2-dioxaborolane ester |
| EINECS | Contact for details |
Quality Control
Our n-(3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethyl)Phenyl)Acetamide is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to ensure high chemical purity and structural identity. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our production adheres to cGMP standards where applicable, ensuring reliable consistency and traceability for your research and development projects.
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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat and incompatible materials.
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% |
| Single Unknown Impurity (HPLC) | ≤ 0.5% |
| Total Impurities (HPLC) | ≤ 3.0% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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