Description

Methyl 2-([2-Cyano-4-(Trifluoromethyl)Phenyl]Sulfanyl)Benzenecarboxylate CAS NO 477866-75-4 is a high-value, multi-functional organic intermediate featuring a unique molecular scaffold combining a thioether linkage, a cyano group, and a trifluoromethyl substituent. This compound is specifically engineered to serve as a critical building block in advanced chemical synthesis, offering significant versatility for introducing complex aromatic and fluorinated motifs. It is primarily sought after by research and development teams and production chemists in the pharmaceutical and agrochemical industries for the development of novel active ingredients.

Application

This specialized intermediate is designed for high-value synthesis applications where structural complexity and specific functional groups are required. Its primary uses include:

• Pharmaceutical Intermediate: A key precursor in the synthesis of potential drug candidates, particularly those targeting central nervous system (CNS) disorders, inflammatory diseases, and oncology, where the trifluoromethyl group can enhance metabolic stability and bioavailability.
• Agrochemical Active Ingredient Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, leveraging the bioactivity often associated with the cyano and trifluoromethylphenyl groups.
• Material Science Research: Serves as a monomer or functionalizing agent in the development of specialty polymers, liquid crystals, or organic electronic materials due to its aromatic and electron-withdrawing characteristics.
• Organic Synthesis Building Block: Employed in cross-coupling reactions, nucleophilic aromatic substitution, and cyclization reactions to construct complex heterocyclic systems for various R&D purposes.

Basic Information

Product Name	Methyl 2-([2-Cyano-4-(Trifluoromethyl)Phenyl]Sulfanyl)Benzenecarboxylate
CAS No.	477866-75-4
Molecular Formula	C16H10F3NO2S
Molecular Weight	337.32 g/mol
Synonyms	Methyl 2-((2-cyano-4-(trifluoromethyl)phenyl)thio)benzoate; 2-[(2-Cyano-4-trifluoromethylphenyl)sulfanyl]benzoic acid methyl ester; Benzoic acid, 2-[[2-cyano-4-(trifluoromethyl)phenyl]thio]-, methyl ester; Methyl o-((2-cyano-4-(trifluoromethyl)phenyl)thio)benzoate; CAS 477866-75-4; 2-((2-Cyano-4-(trifluoromethyl)phenyl)thio)methyl benzoate (common alternate naming); Aryl thioether cyano trifluoromethyl intermediate
EINECS	Contact for details

Quality Control

We maintain stringent quality control protocols for our advanced intermediates. Production follows cGMP guidelines where applicable, and every batch is analyzed using advanced techniques including HPLC, GC, NMR, and MS to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment, and we support regulatory filings with necessary documentation.

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). The compound may be light-sensitive and should be handled under an inert atmosphere for long-term storage to prevent potential degradation. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Melting Point	Contact for details
Loss on Drying	≤ 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.