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3-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethoxy)Benzonitrile CAS NO 1803321-00-7
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CAS No.:1803321-00-7
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
3-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethoxy)Benzonitrile is a high-value, multi-functional boronic ester derivative that serves as a critical building block in modern synthetic chemistry. Its core value lies in enabling the efficient synthesis of complex molecules through reliable cross-coupling reactions, offering chemists a stable and reactive handle for carbon-carbon bond formation. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors who are developing novel active ingredients and functional polymers.
Application
- Pharmaceutical Intermediate: A key precursor in Suzuki-Miyaura cross-coupling reactions for synthesizing drug candidates, particularly those containing trifluoromethoxy and benzonitrile motifs which are prevalent in bioactive molecules.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the boronic ester group facilitates the introduction of the aromatic core into complex structures.
- Material Science Research: Employed in the creation of organic electronic materials, such as OLED (Organic Light-Emitting Diode) emitters and charge transport materials, due to its conjugated system and functional handles.
- Ligand and Catalyst Development: Serves as a starting material for synthesizing specialized ligands used in asymmetric catalysis and transition metal complexes.
- Chemical Biology Probes: Utilized to create tagged molecules and bioconjugates for studying biological processes and target engagement.
- Custom Synthesis and Contract Manufacturing: A vital reagent for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the global life sciences industry.
Basic Information
| Product Name | 3-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethoxy)Benzonitrile |
| CAS No. | 1803321-00-7 |
| Molecular Formula | C14H15BF3NO3 |
| Molecular Weight | 313.08 g/mol |
| Synonyms | 5-(Trifluoromethoxy)isophthalonitrile-3-boronic acid pinacol ester; 3-Borono-5-(trifluoromethoxy)benzonitrile pinacol ester; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzonitrile; 5-(Trifluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; [3-Cyano-5-(trifluoromethoxy)phenyl]boronic acid pinacol ester; PINACOL 3-CYANO-5-(TRIFLUOROMETHOXY)BENZENEBORONATE |
| EINECS | Contact for details |
Quality Control
Our production of 3-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethoxy)Benzonitrile adheres to stringent quality management protocols to ensure batch-to-batch consistency and reliability for your critical synthetic steps. Each lot is fully characterized using advanced analytical techniques including NMR, HPLC, and GC-MS. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment. We operate under a quality system designed to meet the exacting standards of pharmaceutical R&D and cGMP starting material requirements.
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). The container should be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) to maximize shelf-life stability, as boronic esters can be sensitive to prolonged exposure to moisture.
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% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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