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(E)-2-Bromo-4,4,4-Trifluoro-2-Butenoic Acid Ethyl Ester CAS NO 138778-57-1
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CAS No.:138778-57-1
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
(E)-2-Bromo-4,4,4-Trifluoro-2-Butenoic Acid Ethyl Ester is a high-value fluorinated building block characterized by its reactive bromo and trifluoromethyl functionalities. This compound is essential for introducing the CF3 group into complex molecules, a critical modification for enhancing metabolic stability, lipophilicity, and bioavailability in advanced chemical synthesis. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and intermediates.
Application
- Pharmaceutical Intermediate: A key synthon for the synthesis of fluorinated drug candidates, particularly in medicinal chemistry programs targeting kinase inhibitors, antiviral agents, and anti-inflammatory compounds.
- Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides where the trifluoromethyl group improves biological activity and environmental persistence.
- Material Science Precursor: Serves as a monomer or cross-linking agent in the production of specialty polymers and coatings with unique surface properties and chemical resistance.
- Organic Synthesis Building Block: Employed in cross-coupling reactions (e.g., Suzuki, Heck) and nucleophilic substitutions to construct complex, fluorinated organic frameworks for research and scale-up.
- Liquid Crystal & Electronic Chemicals: Acts as a starting material for synthesizing fluorinated liquid crystals and organic semiconductors used in display and electronic device manufacturing.
Basic Information
| Product Name | (E)-2-Bromo-4,4,4-Trifluoro-2-Butenoic Acid Ethyl Ester |
| CAS No. | 138778-57-1 |
| Molecular Formula | C6H6BrF3O2 |
| Molecular Weight | 246.01 g/mol |
| Synonyms | Ethyl (E)-2-Bromo-4,4,4-trifluorobut-2-enoate; 2-Bromo-4,4,4-trifluorocrotonic Acid Ethyl Ester; (E)-Ethyl 2-Bromo-4,4,4-trifluorobut-2-enoate; 4,4,4-Trifluoro-2-bromo-2-butenoic Acid Ethyl Ester; 2-Bromo-4,4,4-trifluoro-2-butenoic Acid Ethyl Ester; But-2-enoic acid, 2-bromo-4,4,4-trifluoro-, ethyl ester, (E)-; Ethyl (E)-2-bromo-4,4,4-trifluorobut-2-enoate |
| EINECS | Contact for details |
Quality Control
Our (E)-2-Bromo-4,4,4-Trifluoro-2-Butenoic Acid Ethyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high chemical purity and isomeric consistency. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment to support your quality assurance and regulatory documentation needs.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from strong bases and incompatible materials. For long-term storage, consider inert atmosphere conditions to maintain optimal stability.
Specification
| Item | Specification |
|---|---|
| Appearance | Colorless to pale yellow liquid |
| Identification (IR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% (Area %) |
| (E)-Isomer Content (GC/HPLC) | ≥ 95.0% |
| Water Content (KF) | ≤ 0.5% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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