Description

2-Benzyl-4,4,4-Trifluoro-3-Oxobutyric Acid Ethyl Ester is a versatile fluorinated β-ketoester building block of significant importance in advanced organic synthesis. Its core value lies in its trifluoromethyl group and active methylene unit, which enable its use as a key precursor for constructing complex, fluorine-containing heterocycles and pharmaceuticals. This high-purity intermediate is essential for research and development chemists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to incorporate the unique physicochemical properties of fluorine into novel molecules.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of fluorinated active pharmaceutical ingredients (APIs), particularly for central nervous system (CNS) agents and anti-inflammatory drugs.
• Agrochemical Synthesis: Used in the development of novel herbicides and pesticides, where the trifluoromethyl group enhances biological activity and metabolic stability.
• Fluorinated Heterocycle Construction: A key starting material for synthesizing fluorinated pyrazoles, isoxazoles, and other nitrogen-containing heterocycles via cyclocondensation reactions.
• Material Science Research: Employed in the development of fluorinated organic compounds for advanced materials, including liquid crystals and polymers with tailored properties.
• Cross-Coupling Reactions: Acts as a substrate in palladium-catalyzed cross-coupling reactions to create more complex, fluorinated molecular architectures.
• Academic & R&D Laboratories: A valuable reagent for methodological studies in fluorine chemistry and the exploration of new synthetic pathways.

Basic Information

Product Name	2-Benzyl-4,4,4-Trifluoro-3-Oxobutyric Acid Ethyl Ester
CAS No.	118642-72-1
Molecular Formula	C₁₃H₁₃F₃O₃
Molecular Weight	274.24 g/mol
Synonyms	Ethyl 2-Benzyl-4,4,4-trifluoro-3-oxobutanoate; 4,4,4-Trifluoro-2-benzyl-3-oxobutyric Acid Ethyl Ester; 2-Benzyl-4,4,4-trifluoroacetoacetic Acid Ethyl Ester; Ethyl (Benzyl)(trifluoroacetyl)acetate; 3-Oxo-2-benzyl-4,4,4-trifluorobutanoic Acid Ethyl Ester; TFAA Benzyl Ester; 118642-72-1
EINECS	Contact for details

Quality Control

Our 2-Benzyl-4,4,4-Trifluoro-3-Oxobutyric Acid Ethyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure high chemical purity and identity confirmation. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our production adheres to cGMP guidelines where applicable, ensuring consistency and reliability for critical R&D and scale-up processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong oxidizing agents, strong bases, and sources of ignition. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
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.