tert-Butyl 4-bromo-2-fluorobenzoate
- CAS No.889858-12-2
- GradeIndustrial / Pharmaceutical
- Availability● In Stock
High purity pharmaceutical intermediate used in advanced organic synthesis and oncology therapeutic development.
Request Bulk PricingProduct Technical Details
Product Overview
tert-Butyl 4-bromo-2-fluorobenzoate is a specialized aromatic ester intermediate designed for complex pharmaceutical synthesis. This compound features a unique substitution pattern with both bromo and fluoro functional groups on the benzoate backbone, making it an invaluable building block for medicinal chemistry applications. Our manufacturing process ensures consistent quality and high structural integrity, suitable for multi-step synthesis routes required in modern drug discovery.
As a key precursor, this chemical facilitates the construction of sophisticated molecular architectures. The presence of the tert-butyl ester group provides necessary protection during synthetic transformations, while the halogen substituents allow for versatile cross-coupling reactions. We supply this material to research institutions and pharmaceutical manufacturers globally, adhering to strict quality management systems.
Technical Specifications
| Parameter | Specification |
|---|---|
| CAS Number | 889858-12-2 |
| Molecular Formula | C11H12BrFO2 |
| Molecular Weight | 275.11 g/mol |
| Appearance | White powder |
| Purity | ≥99.0% |
| Density | 1.394 g/cm3 |
| Boiling Point | 281°C at 760 mmHg |
| Flash Point | 123.7°C |
| Refractive Index | 1.515 |
| Loss on Drying | ≤0.5% |
| Heavy Metals | ≤10 ppm |
| Sulphated Ash | ≤0.2% |
Quality Assurance and Testing
Quality is paramount in pharmaceutical intermediate supply. Each batch of tert-Butyl 4-bromo-2-fluorobenzoate undergoes rigorous analytical testing to confirm identity and purity. Our quality control protocol includes comprehensive spectroscopic analysis. Proton Nuclear Magnetic Resonance (H-NMR) is utilized to verify the structural framework, ensuring the correct positioning of the fluoro and bromo substituents.
Liquid Chromatography-Mass Spectrometry (LC-MS) and High-Performance Liquid Chromatography (HPLC) are employed to quantify purity levels and detect any related substances. The retention time of the major peak in the assay preparation must correspond precisely with the standard preparation. We maintain strict limits on unspecified impurities, ensuring each individual impurity remains below 0.10% and total impurities do not exceed 1.0%. A Certificate of Analysis (COA) is provided with every shipment.
Industrial Applications
This compound serves as a critical intermediate in the synthesis of advanced pharmaceutical agents. It is specifically utilized in the manufacturing process of oncology therapeutics, including intermediates for Enzalutamide. The chemical properties of this benzoate ester enable efficient coupling reactions essential for building complex active pharmaceutical ingredients (APIs). Researchers value this building block for its reactivity profile and stability under various synthetic conditions.
Beyond oncology, the fluorinated aromatic structure offers potential utility in agrochemical research and material science applications where specific halogenated motifs are required. Our team supports customers with technical data to facilitate smooth integration into their respective synthesis routes.
Storage and Handling
To maintain optimal stability, tert-Butyl 4-bromo-2-fluorobenzoate should be stored in a cool, dry place away from direct light. Containers must be kept tightly closed to prevent moisture absorption and contamination. The standard packaging option is 25kg cardboard drums, though we accommodate custom packing requirements based on customer specifications. Proper handling procedures should be followed in accordance with safety data sheets to ensure workplace safety during transfer and usage.
