Description

4,4,5,5-Tetramethyl-2-(3-(2,2,2-Trifluoroethylthio)Phenyl)-1,3,2-Dioxaborolane is a high-value organoboron building block, specifically a pinacol boronic ester, designed for advanced synthetic chemistry. Its core value lies in enabling efficient cross-coupling reactions, such as Suzuki-Miyaura couplings, which are fundamental for constructing complex molecular architectures in pharmaceutical and agrochemical research. This compound is essential for medicinal chemists, process R&D scientists, and fine chemical manufacturers who require reliable, high-purity intermediates for drug discovery and development programs.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those containing trifluoromethyl and aryl sulfide motifs.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides that leverage its unique boron and sulfur chemistry.
• Material Science Research: Serves as a precursor for creating organic electronic materials, liquid crystals, and advanced polymers via cross-coupling methodologies.
• Suzuki-Miyaura Cross-Coupling Reactions: The primary application is as a stable, reactive boronic ester partner for palladium-catalyzed C-C bond formation with aryl or vinyl halides.
• Medicinal Chemistry Library Synthesis: Enables the rapid, parallel synthesis of diverse compound libraries for high-throughput screening in drug discovery.
• Process Chemistry & Scale-Up: Provides a robust and scalable intermediate for the kilogram-to-ton scale production of target molecules under GMP or non-GMP conditions.

Basic Information

Product Name	4,4,5,5-Tetramethyl-2-(3-(2,2,2-Trifluoroethylthio)Phenyl)-1,3,2-Dioxaborolane
CAS No.	1026797-07-8
Molecular Formula	C14H18BF3O2S
Molecular Weight	318.16 g/mol
Synonyms	[3-(2,2,2-Trifluoroethylthio)phenyl]boronic acid pinacol ester; 2-(3-((2,2,2-Trifluoroethyl)thio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-((2,2,2-Trifluoroethyl)thio)benzeneboronic acid pinacol ester; (3-(Trifluoroethylthio)phenyl)boronic acid pinacol ester; Pinacol [3-(2,2,2-trifluoroethylthio)phenyl]boronate; CAS 1026797-07-8
EINECS	Contact for details

Quality Control

Our production of 4,4,5,5-Tetramethyl-2-(3-(2,2,2-Trifluoroethylthio)Phenyl)-1,3,2-Dioxaborolane adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity suitable for sensitive synthetic applications. Each lot undergoes comprehensive analytical characterization, including NMR, HPLC, and GC analysis. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment. We support development under quality agreements and can tailor specifications to meet the requirements of cGMP and other regulatory frameworks.

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 product is light-sensitive (store away from light). For long-term storage, consider storing under an inert atmosphere (argon or nitrogen) to maintain optimal stability and purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
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.