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Ethyl 6-Oxo-6-(4-Trifluoromethylphenyl)Hexanoate CAS NO 898777-83-8
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CAS No.:898777-83-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Ethyl 6-Oxo-6-(4-Trifluoromethylphenyl)Hexanoate is a high-value, fluorinated organic building block and pharmaceutical intermediate. This compound is critical for the synthesis of advanced molecules, particularly in medicinal chemistry where the trifluoromethyl group is prized for its ability to modulate lipophilicity, metabolic stability, and binding affinity. It is primarily needed by research and development laboratories, fine chemical manufacturers, and pharmaceutical companies engaged in the development of novel active pharmaceutical ingredients (APIs) and agrochemicals.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of drug candidates, especially those targeting central nervous system (CNS) disorders, inflammation, and metabolic diseases.
- Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides where the trifluoromethyl moiety enhances biological activity and environmental persistence.
- Material Science: Serves as a monomer or modifier in the creation of specialty polymers and advanced materials with unique surface properties.
- Ligand and Catalyst Development: Employed in the preparation of complex ligands for asymmetric catalysis and metal-organic frameworks (MOFs).
- Fluorine Chemistry Research: An essential reagent for studying structure-activity relationships (SAR) and the introduction of fluorine atoms into complex molecular architectures.
- Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds on a commercial scale.
Basic Information
| Item | Detail |
|---|---|
| Product Name | Ethyl 6-Oxo-6-(4-Trifluoromethylphenyl)Hexanoate |
| CAS No. | 898777-83-8 |
| Molecular Formula | C15H17F3O3 |
| Molecular Weight | 302.29 g/mol |
| Synonyms | Ethyl 6-Oxo-6-[4-(trifluoromethyl)phenyl]hexanoate; 6-Oxo-6-[4-(trifluoromethyl)phenyl]hexanoic Acid Ethyl Ester; 4-Trifluoromethyl-ω-oxobenzenehexanoic Acid Ethyl Ester; Hexanoic acid, 6-oxo-6-[4-(trifluoromethyl)phenyl]-, ethyl ester; Ethyl 6-(4-Trifluoromethylbenzoyl)hexanoate |
| EINECS | Contact for details |
Quality Control
Our Ethyl 6-Oxo-6-(4-Trifluoromethylphenyl)Hexanoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our production adheres to cGMP guidelines where applicable, ensuring reliability for critical research and scale-up processes.
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). Keep away from strong acids and incompatible organic solvents. For long-term storage, consider inert gas purging to maintain product integrity.
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% |
| Related Substances (HPLC) | Total impurities ≤ 2.0% |
| Melting Point | Contact for details |
| Loss on Drying | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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