Description

4,4,5,5-Tetramethyl-2-(3-Trifluoromethylsulfanylmethoxy-Phenyl)-[1,3,2]Dioxaborolane is a high-purity, advanced pharmaceutical intermediate and key building block in modern synthetic chemistry. Its core value lies in its role as a versatile boronic ester, enabling critical carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions. This compound is essential for research and development chemists and process engineers in the pharmaceutical, agrochemical, and advanced materials sectors who require reliable, high-quality precursors for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates containing trifluoromethylthioether and aryl-boronate motifs.
• Suzuki-Miyaura Cross-Coupling Reactions: Serves as a stable, air-tolerant boronic ester coupling partner for the palladium-catalyzed formation of biaryl and heterobiaryl structures, a cornerstone of modern drug discovery.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides where the unique properties of the trifluoromethylthio (SCF3) group are desired.
• Material Science Research: Employed in the development of organic electronic materials, such as organic light-emitting diodes (OLEDs) and semiconductors, where precise molecular engineering is required.
• Chemical Biology & Probe Development: Utilized as a building block for creating molecular probes and tags used in biochemical assays and diagnostic research.
• Process Chemistry & Scale-Up: Provides a scalable and consistent starting material for pilot plant and commercial manufacturing processes in fine chemical production.

Basic Information

Product Name	4,4,5,5-Tetramethyl-2-(3-Trifluoromethylsulfanylmethoxy-Phenyl)-[1,3,2]Dioxaborolane
CAS No.	864754-45-0
Molecular Formula	C14H18BF3O3S
Molecular Weight	334.16 g/mol
Synonyms	2-(3-((Trifluoromethyl)thio)methoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-((Trifluoromethyl)sulfanylmethoxy)phenylboronic acid pinacol ester; [3-(Trifluoromethylthiomethoxy)phenyl]boronic acid pinacol ester; (3-(Trifluoromethylthiomethoxy)phenyl)boronic acid pinacol ester; Pinacol [3-(trifluoromethylthiomethoxy)phenyl]boronate; Boronic acid, B-[3-[[(trifluoromethyl)thio]methoxy]phenyl]-, 1,1-dimethylethyl ester; CAS 864754-45-0
EINECS	Contact for details

Quality Control

Our production of 4,4,5,5-Tetramethyl-2-(3-Trifluoromethylsulfanylmethoxy-Phenyl)-[1,3,2]Dioxaborolane adheres to stringent quality management protocols to ensure batch-to-batch consistency and reliability for your critical synthesis workflows. Each lot is fully characterized and undergoes rigorous analytical testing, including HPLC, NMR (1H, 13C, 19F, 11B), and GC/MS, to confirm identity, purity, and the absence of specified impurities. Comprehensive Certificates of Analysis (COA) detailing all test results are provided and available upon request, supporting compliance in regulated research and development environments.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

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% (Area %)
Water Content (KF)	≤ 0.5% w/w
Residue on Ignition	≤ 0.1%

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