Description

1,1,1-Trifluoro-4-Mercapto-4-(4-Methylphenyl)-3-Buten-2-One is a specialized fluorinated organic building block featuring both a thiol and a ketone functional group. This compound matters for its unique reactivity profile, enabling the synthesis of complex molecules with trifluoromethyl and aromatic components. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and anti-inflammatory applications.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the trifluoromethyl group enhances biological activity and environmental stability.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the synthesis of monomers for specialty polymers and advanced organic electronic materials.
• Fluorine Chemistry Research: A valuable reagent for academic and industrial research exploring new C-F bond formation and thiol-ene click chemistry reactions.

Basic Information

Product Name	1,1,1-Trifluoro-4-Mercapto-4-(4-Methylphenyl)-3-Buten-2-One
CAS No.	55674-02-7
Molecular Formula	C11H9F3OS
Molecular Weight	246.25 g/mol
Synonyms	4,4,4-Trifluoro-1-(4-methylphenyl)-3-mercaptobut-2-en-1-one; 1-(4-Methylphenyl)-4,4,4-trifluoro-3-mercapto-2-buten-1-one; 4-Methyl-α-(trifluoroacetyl)benzenemethanethiol; 4,4,4-Trifluoro-3-mercapto-1-(p-tolyl)-2-buten-1-one; p-Tolyl trifluoroacetyl vinyl sulfide precursor
EINECS	Contact for details

Quality Control

Our 1,1,1-Trifluoro-4-Mercapto-4-(4-Methylphenyl)-3-Buten-2-One is produced under strict quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistent performance. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.