Description

3-(Methylthio)-4-(Trifluoromethyl)Phenylboronic Acid Pinacol Ester is a high-purity, synthetically valuable organoboron reagent. This compound is a critical building block in modern organic synthesis, particularly in cross-coupling reactions like the Suzuki-Miyaura reaction, enabling the efficient construction of complex molecules. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials industries for the development of new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), especially those containing trifluoromethyl and aryl sulfide motifs for enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in creating novel herbicides, fungicides, and insecticides where the unique 3-(Methylthio)-4-(Trifluoromethyl)phenyl moiety imparts specific biological activity.
• Material Science Research: Serves as a monomer or building block for the development of organic electronic materials, such as OLEDs and semiconductors, due to its electron-deficient aromatic system.
• Suzuki-Miyaura Cross-Coupling: The pinacol ester group protects the boronic acid, improving stability and handling while remaining highly reactive in palladium-catalyzed C-C bond formation with aryl halides.
• Chemical Biology & Probe Development: Employed in the synthesis of molecular probes and tags for studying biological processes and target engagement.
• Ligand and Catalyst Preparation: Useful for synthesizing novel ligands for metal catalysts or functional molecules with tailored properties.

Basic Information

Product Name	3-(Methylthio)-4-(Trifluoromethyl)Phenylboronic Acid Pinacol Ester
CAS No.	2121514-10-9
Molecular Formula	C14H16BF3O2S
Molecular Weight	316.15 g/mol
Synonyms	4-(Trifluoromethyl)-3-(methylthio)benzeneboronic acid pinacol ester; 3-Methylsulfanyl-4-trifluoromethylbenzeneboronic acid pinacol ester; [3-(Methylthio)-4-(trifluoromethyl)phenyl]boronic acid pinacol ester; Pinacol [3-(Methylthio)-4-(trifluoromethyl)phenyl]boronate; Boronic acid, B-[3-(methylthio)-4-(trifluoromethyl)phenyl]-, pinacol ester; 3-(Methylthio)-4-(trifluoromethyl)phenylboronic acid, pinacol cyclic ester
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards for research and process chemistry. Each batch is analyzed to confirm identity, purity, and consistency. Certificates of Analysis (COA) detailing specific test results, including assay by NMR or HPLC, are available upon request. We adhere to strict internal quality management protocols to guarantee the reliability of this critical synthetic building block.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This material is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when possible to prevent degradation. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Assay (NMR)	≥ 95.0%
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.