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Ethyl 3-Oxo-2-(Trifluoromethyl)Butanoate CAS NO 116046-53-8


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CAS No.:116046-53-8

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

Ethyl 3-Oxo-2-(Trifluoromethyl)Butanoate is a high-purity fluorinated keto ester building block, valued for its unique trifluoromethyl group which imparts desirable properties like enhanced metabolic stability and lipophilicity in final compounds. This chemical is essential for the synthesis of advanced pharmaceutical intermediates and agrochemicals, where the introduction of fluorine atoms is a key strategy for optimizing biological activity. It serves as a critical raw material for research chemists and process development scientists in the life sciences and specialty chemical sectors.

Application

  • Pharmaceutical Intermediate: A key synthon in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules requiring a trifluoromethylated β-keto ester moiety.
  • Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides, where the CF3 group enhances efficacy and environmental persistence.
  • Fluorinated Building Block: Serves as a versatile precursor in organic synthesis for creating complex fluorinated compounds in medicinal and materials chemistry.
  • Research & Development: Employed in academic and industrial R&D labs for exploring new chemical entities and reaction pathways involving fluorine chemistry.
  • Liquid Crystal & Electronic Materials: Potential use in the synthesis of fluorinated components for specialty polymers and electronic materials.

Basic Information

Product Name Ethyl 3-Oxo-2-(Trifluoromethyl)Butanoate
CAS No. 116046-53-8
Molecular Formula C7H9F3O3
Molecular Weight 198.14 g/mol
Synonyms Ethyl 2-(Trifluoromethyl)-3-oxobutanoate; Ethyl 3-Oxo-2-(trifluoromethyl)butyrate; 2-(Trifluoromethyl)-3-oxobutyric Acid Ethyl Ester; Ethyl 3-Oxo-4,4,4-trifluorobutanoate; Ethyl 4,4,4-Trifluoroacetoacetate; TFAAE; 3-Oxo-2-(trifluoromethyl)butanoic Acid Ethyl Ester
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Quality Control

Our Ethyl 3-Oxo-2-(Trifluoromethyl)Butanoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing including GC/HPLC for purity, NMR and IR for structural confirmation, and tests for residual solvents and moisture to ensure it meets the high standards required for synthetic applications. A comprehensive Certificate of Analysis (COA) is provided with every shipment, detailing all specification results.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from strong bases and incompatible materials. The container should be kept tightly sealed to prevent moisture absorption and contamination.

Specification

Item Specification
Appearance Colorless to pale yellow liquid
Identification (IR) Conforms to structure
Purity (GC/HPLC) ≥ 98.0%
Water Content (KF) ≤ 0.5%
Residual Solvents (GC) Meets ICH guidelines

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.

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