Description

Ethyl 4,4,4-Trifluoro-2-(Triphenylphosphoranylidene)Acetoacetate is a specialized organophosphorus reagent, specifically a stabilized ylide, widely used in synthetic organic chemistry. Its core value lies in its role as a key building block for the efficient synthesis of complex fluorinated heterocycles and other high-value intermediates. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors who require precise methods to introduce trifluoromethylated acetoacetate units into target molecules.

Application

• Pharmaceutical Intermediate: A critical reagent for the synthesis of fluorinated pyrazoles, isoxazoles, and other nitrogen-containing heterocycles with potential biological activity.
• Agrochemical Synthesis: Used in constructing active ingredients that benefit from the metabolic stability and lipophilicity imparted by the trifluoromethyl group.
• Material Science Research: Serves as a precursor for fluorinated organic electronic materials and ligands for catalysis.
• Wittig and Horner-Wadsworth-Emmons Reactions: Acts as a stabilized ylide for the olefination of aldehydes and ketones to generate α,β-unsaturated esters with a trifluoromethyl substituent.
• Academic & R&D Laboratories: A valuable tool for methodology development in fluorine chemistry and the exploration of new reaction pathways.
• Custom Synthesis & Contract Manufacturing: Employed in the production of bespoke fluorinated compounds for client-specific projects.

Basic Information

Product Name	Ethyl 4,4,4-Trifluoro-2-(Triphenylphosphoranylidene)Acetoacetate
CAS No.	83961-56-2
Molecular Formula	C24H20F3O3P
Molecular Weight	444.38 g/mol
Synonyms	(Ethoxycarbonyl)(trifluoroacetyl)methylenetriphenylphosphorane; Ethyl 2-(Triphenylphosphoranylidene)-4,4,4-trifluoro-3-oxobutanoate; 4,4,4-Trifluoro-2-(triphenylphosphoranylidene)acetoacetic Acid Ethyl Ester; Ethyl 4,4,4-Trifluoro-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanoate; Trifluoromethylated Phosphorus Ylide Reagent; TP-3-oxo-4,4,4-trifluorobutanoate
EINECS	Contact for details

Quality Control

Our Ethyl 4,4,4-Trifluoro-2-(Triphenylphosphoranylidene)Acetoacetate is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including NMR, HPLC, and elemental analysis, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are available upon request, supporting compliance in cGMP and ISO 9001 environments for research and development use.

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). This material is hygroscopic (moisture-sensitive) and easily oxidized; for long-term storage, consider keeping under an inert atmosphere such as nitrogen or argon. Keep away from strong bases and fluorides.

Specification

Item	Specification
Appearance	Yellow to pale brown crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95%
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.