Description

3-Trifluoromethylsulfanyl-Pentane-2,4-Dione CAS NO 42105-34-0 is a specialized fluorinated β-diketone derivative, characterized by the presence of a trifluoromethylsulfanyl (SCF₃) functional group. This unique structure makes it a valuable high-performance building block for synthesizing advanced materials and fine chemicals where the introduction of fluorine and sulfur motifs is critical. It is primarily sought after by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for introducing the trifluoromethylthioether group to modulate lipophilicity, metabolic stability, and bioavailability.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and insecticides, where the SCF₃ group can enhance biological activity and environmental persistence profiles.
• Ligand and Catalyst Development: Acts as a chelating agent for metal ions, useful in creating specialized catalysts for asymmetric synthesis and polymerization reactions.
• Advanced Material Research: Employed in the synthesis of fluorinated polymers, liquid crystals, and organic electronic materials to impart specific electronic and surface properties.
• Chemical Biology Probes: Utilized as a building block for creating molecular probes and tags to study biological processes, leveraging the distinct properties of fluorine for techniques like ¹⁹F NMR.

Basic Information

Product Name	3-Trifluoromethylsulfanyl-Pentane-2,4-Dione
CAS No.	42105-34-0
Molecular Formula	C₆H₇F₃O₂S
Molecular Weight	200.18 g/mol
Synonyms	1,1,1-Trifluoro-3-(trifluoromethylsulfanyl)-2,4-pentanedione; 3-(Trifluoromethylthio)-2,4-pentanedione; 4-Oxo-3-[(trifluoromethyl)thio]pentan-2-one; 3-(Trifluoromethylsulfanyl)pentane-2,4-dione; Pentane-2,4-dione, 3-[(trifluoromethyl)thio]-; SCF₃-functionalized acetylacetone
EINECS	Contact for details

Quality Control

Our production of 3-Trifluoromethylsulfanyl-Pentane-2,4-Dione adheres to stringent quality protocols to ensure batch-to-batch consistency and reliability for your synthetic workflows. Each lot is characterized using advanced analytical techniques including NMR, GC-MS, and HPLC. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Due to its light-sensitive nature, containers should be kept in opaque packaging or amber glass. Keep away from strong oxidizing agents and bases.

Specification

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