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Ethyl 3-(4-Fluorobenzenesulfonyl)Propanoate CAS NO 1099681-75-0
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CAS No.:1099681-75-0
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Ethyl 3-(4-Fluorobenzenesulfonyl)Propanoate is a high-purity fluorinated sulfone ester building block of significant interest in advanced organic synthesis. Its core value lies in its unique molecular architecture, which combines a fluorinated aromatic sulfonyl group with an ester functionality, making it a versatile precursor for constructing complex pharmacophores and functional materials. This compound is essential for research chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries who require reliable, high-quality intermediates for drug discovery and fine chemical manufacturing.
Application
- Pharmaceutical Intermediate: A key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders, inflammatory diseases, and metabolic conditions.
- Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, where the fluorine atom and sulfone group enhance biological activity and environmental stability.
- Material Science Precursor: Serves as a monomer or functionalizing agent in the development of specialty polymers, liquid crystals, and advanced organic electronic materials.
- Chemical Biology Probe Development: Employed to create fluorinated analogs and activity-based probes for studying enzyme mechanisms and protein-ligand interactions.
- Cross-Coupling Reactions: Acts as a substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck) to introduce the 4-fluorobenzenesulfonyl moiety into complex molecular frameworks.
- Library Synthesis for Drug Discovery: A valuable scaffold for generating diverse compound libraries in high-throughput screening campaigns to identify new lead molecules.
Basic Information
| Product Name | Ethyl 3-(4-Fluorobenzenesulfonyl)Propanoate |
| CAS No. | 1099681-75-0 |
| Molecular Formula | C11H13FO4S |
| Molecular Weight | 260.28 g/mol |
| Synonyms | Ethyl 3-[(4-fluorophenyl)sulfonyl]propanoate; 3-[(4-Fluorophenyl)sulfonyl]propanoic Acid Ethyl Ester; Ethyl 3-(p-Fluorobenzenesulfonyl)propionate; 4-Fluoro-benzenesulfonic acid 3-ethoxy-3-oxopropyl ester; 1099681-75-0; Ethyl β-(4-Fluorobenzenesulfonyl)propionate; Propanoic acid, 3-[(4-fluorophenyl)sulfonyl]-, ethyl ester |
| EINECS | Contact for details |
Quality Control
Our Ethyl 3-(4-Fluorobenzenesulfonyl)Propanoate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and KF titration for moisture content, to ensure it meets the high standards required for research and process chemistry. Certificates of Analysis (COA) with detailed chromatograms and spectral data are provided to guarantee traceability, consistency, and reliability for your critical synthetic applications.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after each use to prevent degradation from atmospheric moisture. Keep away from heat, sparks, and open flame.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder or solid |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 98.0% |
| Water Content (KF) | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Heavy Metals | ≤ 10 ppm |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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