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Ethyl 2-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Oxoacetate CAS NO 402568-10-9


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CAS No.:402568-10-9

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

Ethyl 2-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Oxoacetate is a high-value fluorinated aromatic building block, specifically an α-keto ester derivative. This compound is prized for its unique trifluoromethyl-substituted phenyl ring, which imparts significant lipophilicity and metabolic stability, making it a critical intermediate in advanced synthesis. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical sectors for constructing complex molecules, such as protease inhibitors and active ingredients requiring trifluoromethyl motifs.

Application

  • Pharmaceutical Intermediate: Key synthon for the development of active pharmaceutical ingredients (APIs), particularly in protease inhibitor and kinase inhibitor drug discovery programs.
  • Agrochemical Synthesis: Used in the research and production of novel herbicides and pesticides where the trifluoromethyl group enhances biological activity and environmental persistence.
  • Material Science Research: Serves as a precursor for specialty monomers and ligands used in catalysis and advanced polymer development.
  • Organic Synthesis Building Block: Employed in palladium-catalyzed cross-coupling reactions, nucleophilic additions, and other transformations to introduce complex fluorinated aromatic systems.
  • Fluorine Chemistry Studies: A valuable reference compound for academic and industrial research into the properties and reactivity of polyfluorinated aromatic esters.

Basic Information

Product Name Ethyl 2-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Oxoacetate
CAS No. 402568-10-9
Molecular Formula C12H8F6O3
Molecular Weight 314.18 g/mol
Synonyms Ethyl 3,5-Bis(trifluoromethyl)benzoylformate; Ethyl 2-Oxo-2-[3,5-bis(trifluoromethyl)phenyl]acetate; 2-[3,5-Bis(trifluoromethyl)phenyl]-2-oxoacetic Acid Ethyl Ester; Ethyl α-Oxo-3,5-bis(trifluoromethyl)benzeneacetate; Ethyl Benzoylformate, 3,5-Bis(trifluoromethyl)-; 3,5-Bis(trifluoromethyl)phenylglyoxylic Acid Ethyl Ester
EINECS Contact for details

Quality Control

Our production of Ethyl 2-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Oxoacetate adheres to stringent in-process controls to ensure batch-to-batch consistency and high purity, typically ≥97% (by HPLC). Every lot is characterized by modern analytical techniques including NMR, HPLC, and GC to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment. We support cGMP and ISO 9001 compliant manufacturing for advanced research and scale-up needs.

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 bases and incompatible materials. 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
Purity (HPLC) ≥ 97.0%
Melting Point Contact for details
Water Content (KF) ≤ 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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