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(3E)-4-[4-(Trifluoromethyl)Phenyl]But-3-En-2-One CAS NO 115665-92-4
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CAS No.:115665-92-4
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
(3E)-4-[4-(Trifluoromethyl)Phenyl]But-3-En-2-One is a high-purity, synthetic organic compound featuring a phenyl ring substituted with a trifluoromethyl group and an α,β-unsaturated ketone (enone) moiety. This specific molecular architecture makes it a valuable and versatile chemical intermediate for advanced synthesis in pharmaceutical and agrochemical research. It is primarily sought after by R&D and process chemistry teams for constructing complex molecules, where the trifluoromethyl group can enhance metabolic stability, lipophilicity, and bioavailability. The compound's defined stereochemistry (3E) ensures consistency in downstream reactions, making it a reliable building block for high-value applications.
Application
- Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammatory diseases, and oncology.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the trifluoromethyl group is a common pharmacophore.
- Material Science Research: Serves as a precursor for specialty polymers, liquid crystals, and organic electronic materials due to its conjugated system and fluorine content.
- Chemical Biology & Probe Development: Employed in creating molecular probes and inhibitors for studying enzyme function and biological pathways.
- Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the life sciences industry.
Basic Information
| Product Name | (3E)-4-[4-(Trifluoromethyl)Phenyl]But-3-En-2-One |
| CAS No. | 115665-92-4 |
| Molecular Formula | C11H9F3O |
| Molecular Weight | 214.18 g/mol |
| Synonyms | (E)-4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one; 4-(4-Trifluoromethylphenyl)-3-buten-2-one; 1-[4-(Trifluoromethyl)phenyl]-1-buten-3-one; (E)-1-(4-Trifluoromethylphenyl)-1-buten-3-one; 3-Buten-2-one, 4-[4-(trifluoromethyl)phenyl]-, (3E)-; (3E)-4-[4-(Trifluoromethyl)phenyl]-3-buten-2-one |
| EINECS | Contact for details |
Quality Control
Our (3E)-4-[4-(Trifluoromethyl)Phenyl]But-3-En-2-One is manufactured under strict quality management systems. Every 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 critical specifications. Our quality commitment supports compliance with cGMP and ISO standards for use in regulated research and development environments.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). Keep away from strong oxidizing agents and bases. For long-term storage under inert atmosphere, please contact us for specific recommendations.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (HPLC) | Conforms to reference standard |
| Purity (HPLC) | ≥ 98.0% |
| Related Substances (HPLC) | Total impurities ≤ 2.0% |
| Melting Point | Contact for details |
| Residue on Ignition | ≤ 0.1% |
| Heavy Metals | ≤ 10 ppm |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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