Description

2,2-Dimethyl-5-(([3-(Trifluoromethyl)Benzyl]Sulfanyl)Methylene)-1,3-Dioxane-4,6-Dione is a specialized organic intermediate featuring a unique dioxanedione core functionalized with a trifluoromethylbenzylthio moiety. This compound matters for its role as a versatile building block in the synthesis of complex molecules, particularly in pharmaceutical and agrochemical research where the trifluoromethyl group is prized for its ability to modulate lipophilicity and metabolic stability. It is needed by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and advanced material sectors seeking to incorporate this distinct molecular architecture into new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel active pharmaceutical ingredients (APIs), especially those targeting central nervous system (CNS) disorders, inflammation, or metabolic diseases.
• Agrochemical Research: Used in developing new generations of herbicides, fungicides, or insecticides where the trifluoromethyl group enhances biological activity and environmental persistence.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the development of specialty polymers with tailored thermal or chemical resistance properties.
• Ligand Synthesis for Catalysis: Utilized in constructing sophisticated ligands for transition metal catalysts used in asymmetric synthesis and cross-coupling reactions.
• Fluorine Chemistry Studies: An important substrate for investigating structure-activity relationships (SAR) and the effects of fluorine substitution in medicinal and synthetic chemistry.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific custom synthesis projects requiring high-purity, complex intermediates.

Basic Information

Product Name	2,2-Dimethyl-5-(([3-(Trifluoromethyl)Benzyl]Sulfanyl)Methylene)-1,3-Dioxane-4,6-Dione
CAS No.	477866-45-8
Molecular Formula	C15H13F3O4S
Molecular Weight	346.32 g/mol
Synonyms	5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]methylene-2,2-dimethyl-1,3-dioxane-4,6-dione; 2,2-Dimethyl-5-[(3-trifluoromethylbenzyl)sulfanylmethylene]-1,3-dioxane-4,6-dione; 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[[[3-(trifluoromethyl)phenyl]methyl]thio]methylene-; (5-Methylene-2,2-dimethyl-1,3-dioxane-4,6-dione-5-yl)methyl 3-(trifluoromethyl)phenyl sulfide; Meldrum's acid derivative with 3-(trifluoromethyl)benzylthio substituent
EINECS	Contact for details

Quality Control

Our 2,2-Dimethyl-5-(([3-(Trifluoromethyl)Benzyl]Sulfanyl)Methylene)-1,3-Dioxane-4,6-Dione is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity assessment and NMR for structural confirmation, to ensure it meets the high standards required for research and development applications. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment and are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is easily oxidized and should be stored under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.