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tert-Butyl 4-Bromo-2,6-Difluorobenzoate CAS NO 955887-09-9
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CAS No.:955887-09-9
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
tert-Butyl 4-Bromo-2,6-Difluorobenzoate is a high-purity, multi-functional benzoate ester derivative, serving as a critical advanced intermediate in modern organic synthesis. Its value lies in the strategic placement of bromine and fluorine substituents on the aromatic ring, which enables precise, subsequent functionalization for building complex molecular architectures. This compound is essential for researchers and process chemists in the pharmaceutical and agrochemical industries, particularly for the development of novel active ingredients and specialty materials.
Application
- Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), especially those requiring difluorobenzene or aryl bromide motifs.
- Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides where the benzoate ester acts as a protected carboxylic acid precursor.
- Liquid Crystal & OLED Material Precursor: Serves as a starting material for synthesizing fluorinated aromatic compounds used in electronic displays and organic light-emitting diodes.
- Cross-Coupling Reactions: The aryl bromide moiety makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Heck, and Sonogashira couplings.
- Protecting Group Strategy: The tert-butyl ester group provides a robust protecting group for carboxylic acids, which can be cleaved under acidic conditions.
- Chemical Research & Development: A versatile reagent for academic and industrial R&D focused on fluorinated compounds and heterocycle formation.
Basic Information
| Product Name | tert-Butyl 4-Bromo-2,6-Difluorobenzoate |
| CAS No. | 955887-09-9 |
| Molecular Formula | C11H11BrF2O2 |
| Molecular Weight | 293.11 g/mol |
| Synonyms | 4-Bromo-2,6-difluorobenzoic acid tert-butyl ester; Benzoic acid, 4-bromo-2,6-difluoro-, 1,1-dimethylethyl ester; 2,6-Difluoro-4-bromobenzoic acid tert-butyl ester; tert-Butyl 4-bromo-2,6-difluorobenzoate; 1,1-Dimethylethyl 4-bromo-2,6-difluorobenzoate; 4-Bromo-2,6-difluorobenzoic acid 1,1-dimethylethyl ester |
| EINECS | Contact for details |
Quality Control
Our tert-Butyl 4-Bromo-2,6-Difluorobenzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high chemical purity and identity confirmation. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring traceability and consistency for critical R&D and scale-up processes.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from incompatible materials such as strong bases and fluorides. For long-term storage, consider holding under an inert atmosphere to maintain optimal purity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 98.0% |
| Melting Point | Contact for details |
| Loss on Drying | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Heavy Metals | ≤ 10 ppm |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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