Description

3-(4'-Butylphenylthio)-1,1,1-Trifluoropropan-2-One CAS NO 99541-30-7 is a specialized organofluorine building block featuring a trifluoromethyl ketone moiety linked to a butylphenylthio group. This compound is valued for its role as a key intermediate in the synthesis of advanced materials and active pharmaceutical ingredients (APIs), where the introduction of fluorine atoms is critical for modulating biological activity and material properties. It is primarily sought by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors for developing novel compounds with enhanced performance characteristics.

Application

• Pharmaceutical Intermediate: A crucial building block for synthesizing novel drug candidates, particularly those requiring trifluoromethyl ketone pharmacophores for enhanced metabolic stability and binding affinity.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the fluorine-containing moiety improves efficacy and environmental persistence.
• Advanced Material Precursor: Serves as a monomer or intermediate in the development of specialty polymers, liquid crystals, and organic electronic materials.
• Organic Synthesis Reagent: Employed in academic and industrial R&D for constructing complex sulfur- and fluorine-containing molecules via nucleophilic addition or cross-coupling reactions.
• Chemical Biology Probe Development: Utilized to create activity-based probes for studying enzyme mechanisms, leveraging the reactivity of the ketone and thioether groups.

Basic Information

Product Name	3-(4'-Butylphenylthio)-1,1,1-Trifluoropropan-2-One
CAS No.	99541-30-7
Molecular Formula	C₁₃H₁₅F₃OS
Molecular Weight	276.32 g/mol
Synonyms	1,1,1-Trifluoro-3-[(4-butylphenyl)thio]propan-2-one; 3-(p-Butylphenylthio)-1,1,1-trifluoroacetone; 4'-Butylphenyl 2,2,2-trifluoro-1-oxoethyl sulfide; 99541-30-7; 3-(4-Butylphenylsulfanyl)-1,1,1-trifluoropropan-2-one; 3-[(4-Butylphenyl)thio]-1,1,1-trifluoro-2-propanone
EINECS	Contact for details

Quality Control

Our production of 3-(4'-Butylphenylthio)-1,1,1-Trifluoropropan-2-One adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide detailed Certificates of Analysis (COA) with every shipment, documenting all critical quality attributes. Our commitment to cGMP principles and relevant ICH guidelines ensures material integrity for demanding applications in regulated industries.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). This material is sensitive to strong alkalis and fluorides; keep away from incompatible substances. For long-term storage, consider an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.