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Ethyl 4-(2-Methyl-5-Fluorophenyl)-4-Oxobutyrate CAS NO 898758-99-1
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CAS No.:898758-99-1
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Ethyl 4-(2-Methyl-5-Fluorophenyl)-4-Oxobutyrate is a high-purity, fluorinated aromatic ester compound that serves as a critical advanced intermediate in modern synthetic chemistry. Its value lies in its unique molecular structure, which combines a fluorinated phenyl ring with a reactive oxobutanoate ester group, making it a versatile building block for constructing complex molecules. This product is essential for research and development chemists and process engineers in the pharmaceutical and agrochemical industries, particularly for the synthesis of novel active ingredients and fine chemicals.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), especially for candidates targeting central nervous system (CNS) disorders and other therapeutic areas where fluorinated compounds are advantageous.
- Agrochemical Synthesis: Used in the research and development of new-generation herbicides, fungicides, and insecticides, leveraging the bioactivity-enhancing properties of the fluorine atom.
- Material Science Research: Serves as a monomer or functionalizing agent in the development of specialty polymers and advanced organic materials with tailored properties.
- Organic Synthesis Building Block: Employed in academic and industrial R&D for constructing complex molecular architectures via reactions such as condensation, reduction, and cyclization.
- Liquid Crystal & OLED Material Development: Investigated as a potential intermediate for creating fluorinated components used in electronic display technologies.
Basic Information
| Product Name | Ethyl 4-(2-Methyl-5-Fluorophenyl)-4-Oxobutyrate |
| CAS No. | 898758-99-1 |
| Molecular Formula | C13H15FO3 |
| Molecular Weight | 238.26 g/mol |
| Synonyms | Ethyl 4-(2-Methyl-5-fluorophenyl)-4-oxobutanoate; 4-(2-Methyl-5-fluorophenyl)-4-oxobutyric Acid Ethyl Ester; Ethyl 4-Oxo-4-(2-methyl-5-fluorophenyl)butyrate; Butanoic acid, 4-(2-methyl-5-fluorophenyl)-4-oxo-, ethyl ester; 898758-99-1; Ethyl 2-Methyl-5-fluorobenzoylacetate (related structure); 4-(2-Methyl-5-fluorobenzoyl)butyric acid ethyl ester |
| EINECS | Contact for details |
Quality Control
Our Ethyl 4-(2-Methyl-5-Fluorophenyl)-4-Oxobutyrate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, ensuring reliability for your most demanding synthesis workflows.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep the container tightly sealed in a dry environment to minimize exposure to moisture. Store away from strong bases and incompatible materials such as strong oxidizing agents.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder or solid |
| Identification (IR) | Conforms to structure |
| Identification (HPLC) | Retention time matches reference standard |
| Assay (HPLC) | ≥ 98.0% |
| Related Substances (HPLC) | Total impurities ≤ 2.0% |
| Any single unknown impurity | ≤ 0.5% |
| Residual Solvents (GC) | Meets ICH Q3C guidelines |
| Water Content (KF) | ≤ 0.5% w/w |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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