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2H-1,4-Benzoxazin-3(4H)-One, 8-Methyl-6-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)- CAS NO 943994-87-4
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CAS No.:943994-87-4
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2H-1,4-Benzoxazin-3(4H)-One, 8-Methyl-6-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)- is a high-value, advanced pharmaceutical intermediate featuring a benzoxazinone core functionalized with a pinacol boronate ester group. This compound matters as a critical building block in modern medicinal chemistry, enabling efficient Suzuki-Miyaura cross-coupling reactions to construct complex molecules. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients.
Application
- Pharmaceutical Intermediate: Key building block for the synthesis of potential drug candidates targeting various therapeutic areas.
- Suzuki-Miyaura Cross-Coupling: The pinacol boronate ester group enables efficient carbon-carbon bond formation with aryl/heteroaryl halides, a cornerstone reaction in drug discovery.
- Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides that require the benzoxazinone pharmacophore.
- Material Science Precursor: Serves as a monomer or functional unit in the research of advanced organic electronic materials.
- Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying biological pathways and target engagement.
- Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific synthesis projects.
Basic Information
| Product Name | 2H-1,4-Benzoxazin-3(4H)-One, 8-Methyl-6-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)- |
| CAS No. | 943994-87-4 |
| Molecular Formula | C15H20BNO4 |
| Molecular Weight | 289.14 g/mol |
| Synonyms | 8-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one; 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-8-methyl-4H-benzo[e][1,4]oxazin-3-one; 8-Methyl-6-(pinacolatoboryl)-2H-1,4-benzoxazin-3(4H)-one; 8-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-benzo[e][1,4]oxazin-3-one; 943994-87-4; Boronic acid, B-(8-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-, pinacol ester |
| EINECS | Contact for details |
Quality Control
Our 2H-1,4-Benzoxazin-3(4H)-One, 8-Methyl-6-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)- is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via NMR and mass spectrometry, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) detailing all specifications are provided with every shipment.
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) when appropriate to prevent degradation.
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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