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Ethyl 6-Oxo-2-(Trifluoromethyl)-1,4,5,6-Tetrahydropyridine-3-Carboxylate CAS NO 194673-12-6
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CAS No.:194673-12-6
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Ethyl 6-Oxo-2-(Trifluoromethyl)-1,4,5,6-Tetrahydropyridine-3-Carboxylate is a high-value fluorinated heterocyclic building block of significant interest in advanced organic synthesis. This compound matters because it serves as a versatile precursor for the development of novel pharmacologically active molecules, particularly in medicinal chemistry and agrochemical research. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to incorporate the unique physicochemical properties of the trifluoromethyl group into new compounds.
Application
- Pharmaceutical Intermediate: A key synthon for the research and development of new active pharmaceutical ingredients (APIs), especially in central nervous system (CNS) and metabolic disorder drug candidates.
- Agrochemical Synthesis: Used in the creation of novel herbicides, fungicides, and insecticides where the trifluoromethyl group enhances biological activity and environmental stability.
- Medicinal Chemistry Research: Employed in hit-to-lead and lead optimization programs to explore structure-activity relationships (SAR) and improve drug-like properties.
- Fluorinated Compound Library Building: Serves as a core structure for generating diverse chemical libraries for high-throughput screening in drug discovery.
- Process Chemistry & Scale-Up: Utilized in route scouting and optimization for the commercial-scale production of fluorinated target molecules.
- Academic & Institutional Research: A valuable reagent for universities and research institutes studying novel heterocyclic chemistry and fluorine chemistry methodologies.
Basic Information
| Product Name | Ethyl 6-Oxo-2-(Trifluoromethyl)-1,4,5,6-Tetrahydropyridine-3-Carboxylate |
| CAS No. | 194673-12-6 |
| Molecular Formula | C9H10F3NO3 |
| Molecular Weight | 237.18 g/mol |
| Synonyms | Ethyl 2-(Trifluoromethyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate; 3-Carbethoxy-2-trifluoromethyl-1,4,5,6-tetrahydropyrid-6-one; 1,4,5,6-Tetrahydro-6-oxo-2-(trifluoromethyl)-3-pyridinecarboxylic Acid Ethyl Ester; 2-Trifluoromethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic Acid Ethyl Ester; Ethyl 2-Trifluoromethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate; 6-Oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylic Acid Ethyl Ester |
| EINECS | Contact for details |
Quality Control
Our Ethyl 6-Oxo-2-(Trifluoromethyl)-1,4,5,6-Tetrahydropyridine-3-Carboxylate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment supports compliance with cGMP guidelines for advanced pharmaceutical intermediates, ensuring reliability for your most demanding synthesis workflows.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flames. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% |
| Water Content (KF) | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Heavy Metals | ≤ 20 ppm |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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