Description

4,4,5,5-Tetramethyl-2-(3-(Methylthio)-5-(Trifluoromethyl)Phenyl)-1,3,2-Dioxaborolane is a high-purity, advanced boronic ester building block essential for modern synthetic chemistry. This compound matters because it provides a stable and reactive handle for the Suzuki-Miyaura cross-coupling reaction, a cornerstone methodology for constructing complex biaryl and heterobiaryl architectures. It is critically needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries to accelerate the discovery and production of novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of drug candidates containing trifluoromethyl and arylthioether motifs, particularly in oncology and CNS therapeutic areas.
• Agrochemical Synthesis: Used in creating novel herbicides, fungicides, and insecticides where the trifluoromethyl group enhances biological activity and metabolic stability.
• Material Science Research: Employed in the development of organic electronic materials, such as OLED emitters and charge-transport layers, due to its electron-deficient aromatic system.
• Ligand & Catalyst Development: Serves as a precursor for synthesizing specialized ligands and organometallic catalysts used in asymmetric synthesis.
• Chemical Biology Probes: Utilized to create tagged molecules for studying biological pathways and protein interactions.
• Scale-up Process Chemistry: Suitable for transitioning from milligram-scale discovery to kilogram-scale production under GMP-like conditions for clinical trial material.

Basic Information

Product Name	4,4,5,5-Tetramethyl-2-(3-(Methylthio)-5-(Trifluoromethyl)Phenyl)-1,3,2-Dioxaborolane
CAS No.	779331-59-8
Molecular Formula	C14H18BF3O2S
Molecular Weight	318.16 g/mol
Synonyms	[3-(Methylthio)-5-(trifluoromethyl)phenyl]boronic acid pinacol ester; 2-[3-(Methylsulfanyl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-(Methylthio)-5-(trifluoromethyl)benzeneboronic acid pinacol ester; Pinacol [3-(Methylthio)-5-(trifluoromethyl)phenyl]boronate; (3-(Methylthio)-5-(trifluoromethyl)phenyl)boronic acid pinacol ester; Boronic acid, B-[3-(methylthio)-5-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
EINECS	Contact for details

Quality Control

Every batch of 4,4,5,5-Tetramethyl-2-(3-(Methylthio)-5-(Trifluoromethyl)Phenyl)-1,3,2-Dioxaborolane undergoes rigorous analytical testing to ensure it meets the stringent purity requirements for advanced synthetic applications. Our quality assurance protocols are designed to support cGMP-compliant manufacturing and provide full traceability. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment.

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). Keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain optimal stability and purity. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5% w/w
Residue on Ignition	≤ 0.1%
Heavy Metals (as Pb)	≤ 20 ppm

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