Description

3-Oxo-2-(Trifluoromethylthio)Butyricacid Ethyl Ester is a specialized fluorinated organic building block, a key intermediate in the synthesis of advanced molecules. Its core value lies in the unique reactivity of the trifluoromethylthio (SCF₃) group, which is highly sought after for modulating the lipophilicity, metabolic stability, and bioavailability of target compounds. This high-purity intermediate is essential for R&D and production chemists in the pharmaceutical and agrochemical industries, where it is used to create novel active ingredients.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring the introduction of the lipophilic trifluoromethylthio moiety to enhance drug-like properties.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, where the SCF₃ group can improve efficacy and environmental profile.
• Material Science Research: Serves as a precursor for advanced materials, including liquid crystals and functional polymers with specific surface properties.
• Organic Synthesis & Method Development: A valuable reagent for academic and industrial chemists exploring new C-SCF₃ bond-forming reactions and developing novel synthetic methodologies.
• Fluorinated Compound Library Production: Employed in combinatorial chemistry and parallel synthesis to create diverse libraries of fluorinated compounds for high-throughput screening.

Basic Information

Product Name	3-Oxo-2-(Trifluoromethylthio)Butyricacid Ethyl Ester
CAS No.	42105-37-3
Molecular Formula	C₇H₉F₃O₃S
Molecular Weight	230.21 g/mol
Synonyms	Ethyl 3-oxo-2-[(trifluoromethyl)sulfanyl]butanoate; Ethyl 2-(Trifluoromethylthio)-3-oxobutanoate; 2-(Trifluoromethylthio)acetoacetic Acid Ethyl Ester; 3-Oxo-2-(trifluoromethylsulfanyl)butanoic acid ethyl ester; Acetoacetic acid, 2-[(trifluoromethyl)thio]-, ethyl ester; Butanoic acid, 3-oxo-2-[(trifluoromethyl)thio]-, ethyl ester
EINECS	Contact for details

Quality Control

Our production of 3-Oxo-2-(Trifluoromethylthio)Butyricacid Ethyl Ester adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for your synthetic processes. Each lot is characterized using advanced analytical techniques including HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment, supporting your quality management and regulatory documentation needs.

Storage

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

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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