Description

4-(4-Bromophenyl)-1,1,1-Trifluoro-4-Mercapto-3-Buten-2-One is a high-value, multi-functional organofluorine building block characterized by its unique trifluoromethyl ketone and thiol functionalities. This compound matters for its critical role in facilitating the synthesis of complex molecules, particularly in advanced pharmaceutical and agrochemical research where the introduction of fluorine atoms and sulfur-based groups is paramount. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty materials industries for constructing novel active ingredients and functional intermediates.

Application

• Pharmaceutical Intermediate: Serves as a key synthon for the development of novel drug candidates, especially those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and enzyme inhibitors where the trifluoromethyl group enhances metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, leveraging the bromophenyl and thiol moieties for structural diversity and biological activity.
• Ligand and Catalyst Precursor: The thiol group makes it a valuable precursor for creating specialized ligands used in transition metal catalysis and asymmetric synthesis.
• Material Science Research: Employed in the development of novel fluorinated polymers and advanced organic electronic materials due to its unique electronic properties imparted by the fluorine atoms.
• Custom Synthesis and Contract Manufacturing: A critical starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the life sciences sector.
• Academic Research: Utilized in university and institutional labs for methodological studies in organic synthesis, particularly in reactions involving sulfur and fluorine chemistry.

Basic Information

Product Name	4-(4-Bromophenyl)-1,1,1-Trifluoro-4-Mercapto-3-Buten-2-One
CAS No.	53833-48-0
Molecular Formula	C11H6BrF3OS
Molecular Weight	323.13 g/mol
Synonyms	1,1,1-Trifluoro-4-(4-bromophenyl)-4-mercapto-3-buten-2-one; 4-(4-Bromophenyl)-1,1,1-trifluoro-4-sulfanylbut-3-en-2-one; 4-(p-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one; (E)-4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercaptobut-3-en-2-one; 4-Bromophenyl trifluoromethyl ketone thiol derivative; p-Bromophenyl trifluoromethyl vinyl thiol ketone; TFMBK-Br thiol; Bromophenyl trifluoromethyl β-mercaptovinyl ketone
EINECS	Contact for details

Quality Control

Our 4-(4-Bromophenyl)-1,1,1-Trifluoro-4-Mercapto-3-Buten-2-One is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and elemental analysis, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This material is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere (e.g., nitrogen or argon) to prevent oxidation and degradation. Keep away from strong oxidizers, strong bases, and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
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.