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(S)-Ethyl 2-((R)-3-(4-Fluorophenyl)-5-(Perfluorophenyl)-1,2,4-Oxadiazol-4(5H)-Yl)-3-Methylbutanoate CAS NO 916676-20-5
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CAS No.:916676-20-5
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
(S)-Ethyl 2-((R)-3-(4-Fluorophenyl)-5-(Perfluorophenyl)-1,2,4-Oxadiazol-4(5H)-Yl)-3-Methylbutanoate is a high-value, stereochemically defined fluorinated oxadiazole derivative. This compound matters as a sophisticated chiral building block and key intermediate for the synthesis of advanced pharmaceutical candidates and agrochemicals. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to incorporate complex, fluorinated heterocyclic motifs into new molecular entities.
Application
- Pharmaceutical Intermediate: A critical chiral synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly in oncology, CNS, and antiviral therapeutic areas.
- Agrochemical Research: Serves as a key precursor in the synthesis of novel herbicides, fungicides, and insecticides, leveraging the stability and bioactivity of the perfluorophenyl-oxadiazole core.
- Material Science: Potential use in the development of advanced fluorinated polymers or liquid crystals where specific stereochemistry and fluorine content are required for desired properties.
- Chemical Biology Probe: Used in medicinal chemistry to study enzyme-substrate interactions or as a labeled compound in biochemical assays due to its distinct fluorinated structure.
- Process Chemistry: Employed in route scouting and scale-up studies for the production of complex molecules requiring this specific stereochemical configuration.
Basic Information
| Product Name | (S)-Ethyl 2-((R)-3-(4-Fluorophenyl)-5-(Perfluorophenyl)-1,2,4-Oxadiazol-4(5H)-Yl)-3-Methylbutanoate |
| CAS No. | 916676-20-5 |
| Molecular Formula | C21H16F6N2O3 |
| Molecular Weight | 458.36 g/mol |
| Synonyms | Ethyl (2S)-2-[(4R)-3-(4-fluorophenyl)-5-(pentafluorophenyl)-1,2,4-oxadiazol-4-yl]-3-methylbutanoate; (S)-Ethyl 2-((R)-3-(4-Fluorophenyl)-5-(Perfluorophenyl)-1,2,4-Oxadiazol-4(5H)-Yl)-3-Methylbutanoate; 916676-20-5; SCHEMBL21806227; AKOS040759425; F2198-6479; ZINC000257460511; A1-00826 |
| EINECS | Contact for details |
Quality Control
Our (S)-Ethyl 2-((R)-3-(4-Fluorophenyl)-5-(Perfluorophenyl)-1,2,4-Oxadiazol-4(5H)-Yl)-3-Methylbutanoate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical characterization including HPLC for purity and chiral assay, NMR for structural confirmation, and MS for identity verification. Certificates of Analysis (COA) detailing all specifications are provided to ensure traceability and batch-to-batch consistency for your critical R&D and scale-up projects.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The compound is light-sensitive; prolonged exposure to light should be avoided. Keep the container tightly sealed in a dry environment to minimize moisture uptake.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white solid |
| Identification (HPLC) | Conforms to reference standard |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% |
| Chiral Purity (Chiral HPLC) | ≥ 99.0% ee |
| Water Content (KF) | ≤ 0.5% |
| Residual Solvents (GC) | Complies with ICH Q3C |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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Each batch undergoes strict QC, accompanied by COA, MSDS, and full compliance with international standards.
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