Description

3-Buten-2-One, 1,1,1-Trifluoro-4-(Methylthio)- is a specialized fluorinated building block featuring a reactive α,β-unsaturated ketone (enone) moiety combined with a trifluoromethyl and a methylthio group. This unique structure makes it a high-value intermediate for synthesizing complex molecules where the introduction of fluorine and sulfur functionalities is critical for modulating biological activity, lipophilicity, and metabolic stability. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for creating novel active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of fluorinated drug candidates, particularly in oncology, CNS, and anti-infective therapeutic areas.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the trifluoromethyl group enhances bioactivity and environmental persistence.
• Material Science Research: Serves as a monomer or precursor for developing specialty polymers and advanced materials with unique surface properties.
• Fluorine Chemistry: An essential reagent in organofluorine chemistry for constructing complex fluorinated scaffolds via Michael additions or other conjugate reactions.
• Ligand and Catalyst Development: Utilized in the preparation of novel ligands for catalysis, leveraging the sulfur and ketone groups for metal coordination.

Basic Information

Product Name	3-Buten-2-One, 1,1,1-Trifluoro-4-(Methylthio)-
CAS No.	532977-10-9
Molecular Formula	C6H7F3OS
Molecular Weight	184.18 g/mol
Synonyms	1,1,1-Trifluoro-4-(methylthio)-3-buten-2-one; 4-(Methylthio)-1,1,1-trifluorobut-3-en-2-one; 3-Buten-2-one, 1,1,1-trifluoro-4-(methylthio)-; Trifluoro-4-(methylthio)-3-buten-2-one; (E/Z)-1,1,1-Trifluoro-4-(methylthio)but-3-en-2-one
EINECS	Contact for details

Quality Control

Every batch of 3-Buten-2-One, 1,1,1-Trifluoro-4-(Methylthio)- is produced and tested under a strict quality management system. We provide comprehensive analytical data including HPLC purity, GC analysis, and NMR confirmation to ensure identity, strength, and composition. Certificates of Analysis (COA) documenting all release specifications are available upon request, supporting your regulatory and R&D documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its fluoride/strong alkali reactivity profile, keep away from incompatible materials. For long-term storage, consider maintaining the material under an inert atmosphere to preserve stability. Recommended storage temperature is 2-8°C.

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.