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Ethyl 2,3,4,5-Tetrafluorobenzoyl Acetate CAS NO 94695-50-8
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CAS No.:94695-50-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Ethyl 2,3,4,5-Tetrafluorobenzoyl Acetate is a high-value fluorinated organic building block, a key intermediate in the synthesis of complex molecules. Its tetrafluorinated aromatic ring and reactive β-ketoester functionality make it a versatile precursor for introducing fluorinated motifs, which are critical for modulating the physicochemical properties of target compounds. This compound is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for the creation of novel active ingredients with enhanced metabolic stability, bioavailability, and lipophilicity.
Application
- Pharmaceutical Intermediate: A crucial building block for synthesizing fluorinated active pharmaceutical ingredients (APIs), particularly in the development of kinase inhibitors, antiviral agents, and central nervous system (CNS) drugs.
- Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the fluorine atoms improve biological activity and environmental persistence.
- Material Science Precursor: Serves as a monomer or intermediate for developing specialty polymers, liquid crystals, and organic electronic materials that require fluorinated aromatic components for thermal and chemical stability.
- Organic Synthesis & Research: Employed in academic and industrial R&D for constructing complex heterocycles (e.g., pyrazoles, isoxazoles) via condensation and cyclization reactions, leveraging its active methylene group.
- Fluorine Chemistry Studies: Acts as a model substrate for investigating novel fluorination techniques and studying the structure-activity relationships (SAR) imparted by polyfluorinated arenes.
Basic Information
| Product Name | Ethyl 2,3,4,5-Tetrafluorobenzoyl Acetate |
| CAS No. | 94695-50-8 |
| Molecular Formula | C11H8F4O3 |
| Molecular Weight | 264.18 g/mol |
| Synonyms | Ethyl (2,3,4,5-tetrafluorobenzoyl)acetate; Acetic acid, 2-(2,3,4,5-tetrafluorobenzoyl)-, ethyl ester; 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propanoic acid ethyl ester; Ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate; 2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester; Ethyl Tetrafluorobenzoylacetate; 94695-50-8 |
| EINECS | Contact for details |
Quality Control
Our Ethyl 2,3,4,5-Tetrafluorobenzoyl Acetate is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC for purity, GC for residual solvents, and NMR/IR for structural confirmation, to ensure it meets the stringent requirements for advanced synthetic applications. Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to support regulatory filings (e.g., FDA DMF, CEP).
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). The compound may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if necessary.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder or solid |
| Identification (IR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% (Standard Grade) |
| Purity (HPLC) | ≥ 99.0% (High Purity Grade) |
| Water Content (KF) | ≤ 0.5% |
| Residual Solvents (GC) | Meets ICH Q3C guidelines |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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