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Ethyl 2-Ethyl-4,4,4-Trifluoro-3-Oxobutyrate CAS NO 3854-50-0
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CAS No.:3854-50-0
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Ethyl 2-Ethyl-4,4,4-Trifluoro-3-Oxobutyrate is a versatile fluorinated β-ketoester building block, prized for its unique trifluoromethyl group which imparts valuable properties to downstream molecules. This compound is essential for the synthesis of advanced intermediates in pharmaceutical and agrochemical research, where the introduction of fluorine atoms is a key strategy for modulating bioactivity, metabolic stability, and lipophilicity. It is a critical raw material for medicinal chemists and process development scientists working on novel active ingredients.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of fluorinated heterocycles, such as pyrazoles and isoxazoles, which are core structures in many active pharmaceutical ingredients (APIs).
- Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and environmental persistence.
- Material Science: Serves as a monomer or modifier in the production of specialty polymers and coatings with enhanced chemical resistance, durability, and unique surface properties.
- Fluorine Chemistry Research: A valuable reagent for studying Claisen condensation and Michael addition reactions in the presence of fluorine, enabling the exploration of new synthetic pathways.
- Liquid Crystal & Electronic Materials: Employed in the synthesis of fluorinated organic compounds for advanced display technologies and electronic applications.
Basic Information
| Product Name | Ethyl 2-Ethyl-4,4,4-Trifluoro-3-Oxobutyrate |
| CAS No. | 3854-50-0 |
| Molecular Formula | C8H11F3O3 |
| Molecular Weight | 212.17 g/mol |
| Synonyms | Ethyl 2-Ethyl-4,4,4-Trifluoroacetoacetate; 4,4,4-Trifluoro-2-ethylacetoacetic Acid Ethyl Ester; 2-Ethyl-4,4,4-trifluoro-3-oxobutanoic Acid Ethyl Ester; Ethyl 4,4,4-Trifluoro-2-ethylacetoacetate; 3-Oxo-2-ethyl-4,4,4-trifluorobutanoic Acid Ethyl Ester; Ethyl 3-Oxo-2-ethyl-4,4,4-trifluorobutanoate; TFAAE; 3854-50-0 |
| EINECS | 223-374-4 |
Quality Control
Our Ethyl 2-Ethyl-4,4,4-Trifluoro-3-Oxobutyrate is manufactured under a strict quality management system. Every batch undergoes rigorous analytical testing, including GC, HPLC, and NMR, to ensure identity, purity, and consistency meet the high standards required for synthetic applications. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment and is available upon request.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flame. This material is light-sensitive (store away from light).
Specification
| Item | Specification |
|---|---|
| Appearance | Colorless to pale yellow liquid |
| Identification (IR) | Conforms to structure |
| Assay (GC) | ≥ 98.0% |
| Water Content (KF) | ≤ 0.5% |
| Refractive Index (n20D) | 1.390 - 1.400 |
| Density (20°C) | 1.20 - 1.30 g/mL |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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