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3-Ethoxy-2-Fluoro-3-Oxopropanoic Acid CAS NO 100701-49-3
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CAS No.:100701-49-3
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
3-Ethoxy-2-Fluoro-3-Oxopropanoic Acid is a specialized fluorinated organic acid ester, a high-value building block in advanced chemical synthesis. Its molecular structure, featuring both an ethoxy and a fluorine substituent on a β-keto acid backbone, makes it a versatile precursor for introducing fluorine and functionalized propanoate motifs into target molecules. This compound is essential for researchers and manufacturers in the pharmaceutical and agrochemical sectors who require precise fluorination to modulate the biological activity, metabolic stability, and physical properties of novel compounds.
Application
- Pharmaceutical Intermediate: A key synthon for the development of fluorinated active pharmaceutical ingredients (APIs), particularly in protease inhibitors and other small-molecule therapeutics.
- Agrochemical Synthesis: Used in the research and production of advanced herbicides and pesticides, where the fluorine atom enhances lipophilicity and target binding.
- Material Science Precursor: Serves as a monomer or modifying agent in the synthesis of specialty polymers and coatings with tailored surface properties.
- Organic Synthesis Building Block: Employed in cross-coupling reactions, condensations, and nucleophilic substitutions to construct complex molecular architectures.
- Fluorine Chemistry Research: A valuable reagent for academic and industrial R&D focused on new methodologies for C-F bond formation and fluorinated compound libraries.
Basic Information
| Product Name | 3-Ethoxy-2-Fluoro-3-Oxopropanoic Acid |
| CAS No. | 100701-49-3 |
| Molecular Formula | C5H7FO4 |
| Molecular Weight | 150.11 g/mol |
| Synonyms | 2-Fluoro-3-ethoxy-3-oxopropanoic acid; Ethyl 2-fluoro-3-oxopropanoate (tautomeric form); 3-Ethoxy-2-fluoromalonic acid monoethyl ester (derived); Monoethyl 2-fluoro-3-oxopropanedioate; Fluoromalonic acid monoethyl ester ethyl ether; β-Ethoxy-β-fluoropyruvic acid; 100701-49-3; Ethyl fluorooxaloacetate |
| EINECS | Contact for details |
Quality Control
Our 3-Ethoxy-2-Fluoro-3-Oxopropanoic Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for synthetic applications. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment to guarantee traceability and consistency for your critical processes.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). This compound is sensitive to strong bases and fluorides; keep away from incompatible materials. For long-term storage, consider under an inert atmosphere to maintain optimal purity.
Specification
| Item | Specification |
|---|---|
| Appearance | Colorless to pale yellow liquid |
| Identification (IR) | Conforms to structure |
| Assay (HPLC) | ≥ 97.0% |
| Water Content (KF) | ≤ 0.5% |
| Related Substances (HPLC) | Total impurities ≤ 3.0% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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