Description

S-Methyl 4,4,4-Trifluoro-3-Oxothio-Butyr Ate, 98 is a high-purity organofluorine building block characterized by its reactive thioester and trifluoromethyl ketone functionalities. This compound is essential for synthetic chemists seeking to introduce the metabolically stable and lipophilic trifluoromethyl group into target molecules. It is primarily utilized in the research and development of pharmaceuticals and agrochemicals, serving as a key intermediate for the synthesis of more complex fluorinated compounds.

Application

• Pharmaceutical Intermediate: A versatile building block for synthesizing novel active pharmaceutical ingredients (APIs), particularly in medicinal chemistry for creating fluorinated analogs to enhance drug potency and metabolic stability.
• Agrochemical Synthesis: Used in the development of advanced herbicides, fungicides, and insecticides where the trifluoromethyl group can improve biological activity and environmental persistence.
• Material Science Research: Employed in the synthesis of specialty polymers and advanced materials that benefit from the unique properties imparted by fluorine atoms.
• Organic Synthesis Reagent: Acts as a key reagent for introducing the -SC(O)CF3 moiety in various nucleophilic substitution and cross-coupling reactions.
• Fluorine Chemistry R&D: A critical compound for academic and industrial research focused on exploring new methodologies in organofluorine chemistry.

Basic Information

Product Name	S-Methyl 4,4,4-Trifluoro-3-Oxothio-Butyr Ate, 98
CAS No.	118528-85-1
Molecular Formula	C5H5F3O2S
Molecular Weight	186.15 g/mol
Synonyms	S-Methyl 4,4,4-trifluoro-3-oxobutanethioate; Methyl 4,4,4-trifluoro-3-oxobutane-1-thioate; 4,4,4-Trifluoro-3-oxobutyl methyl thioate; Methyl trifluoroacetoacetate thioester; Trifluoroacetoacetic acid S-methyl ester; 1,1,1-Trifluoro-3-(methylthio)-2,4-butanedione; S-Methyl trifluoroacetoacetate; TFAA-S-Me
EINECS	Contact for details

Quality Control

Our S-Methyl 4,4,4-Trifluoro-3-Oxothio-Butyr Ate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and FTIR, to ensure a minimum purity of 98% and compliance with internal specifications. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to guarantee traceability and consistent batch-to-batch quality for your 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 place at room temperature (15-25°C). Keep away from incompatible materials such as strong bases and fluorides. The container should be kept tightly sealed to minimize exposure to moisture and air.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (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.