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Ethyl 3-(2,5-Difluorophenyl)-3-Oxopropanoate CAS NO 887267-53-0
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CAS No.:887267-53-0
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Ethyl 3-(2,5-Difluorophenyl)-3-Oxopropanoate is a high-purity fluorinated β-ketoester building block essential for advanced organic synthesis. This compound matters because it provides a versatile and reactive scaffold for constructing complex molecules, particularly in the development of active pharmaceutical ingredients (APIs) and agrochemicals. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to introduce difluorophenyl motifs into target structures.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders and metabolic diseases.
- Agrochemical Synthesis: Used in the development of next-generation herbicides and fungicides, where the difluorophenyl group enhances biological activity and environmental stability.
- Material Science Research: Serves as a monomer or cross-linking agent in the creation of specialty polymers with unique optical or electronic properties.
- Chemical Biology Probes: Employed in the design and synthesis of fluorinated probes for studying enzyme mechanisms and protein interactions.
- Scale-Up Process Chemistry: Suitable for optimization and kilogram-scale production under GMP-like conditions for clinical trial material supply.
- Academic Research: A valuable reagent for methodology development in fluorination chemistry and asymmetric synthesis in university laboratories.
Basic Information
| Item | Detail |
|---|---|
| Product Name | Ethyl 3-(2,5-Difluorophenyl)-3-Oxopropanoate |
| CAS No. | 887267-53-0 |
| Molecular Formula | C11H10F2O3 |
| Molecular Weight | 228.19 g/mol |
| Synonyms | Ethyl 2,5-Difluoro-β-oxobenzene propanoate; Ethyl (2,5-Difluorobenzoyl)acetate; 3-Oxo-3-(2,5-difluorophenyl)propionic Acid Ethyl Ester; 2,5-Difluorobenzoylacetic Acid Ethyl Ester; Acetic acid, 2-(2,5-difluorobenzoyl)-, ethyl ester; Ethyl 3-(2,5-difluorophenyl)-3-oxopropionate; DFBAA ethyl ester; 887267-53-0 |
| EINECS | Contact for details |
Quality Control
Every batch of Ethyl 3-(2,5-Difluorophenyl)-3-Oxopropanoate is produced and tested under a strict quality management system. We guarantee high chemical purity and lot-to-lot consistency suitable for demanding research and scale-up applications. A comprehensive Certificate of Analysis (COA) is provided with each shipment, detailing results from HPLC, GC, NMR, and FTIR analyses to confirm identity, purity, and the absence of critical impurities.
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 nature, the container must be kept tightly sealed in a dry environment to prevent moisture absorption, which may affect stability and reactivity. Keep away from heat sources and incompatible materials.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 98.0% |
| Water Content (KF) | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Single Unknown Impurity (HPLC) | ≤ 0.5% |
| Total Impurities (HPLC) | ≤ 2.0% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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