Description

Benzoic Acid, 4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)- is a highly functionalized boronic ester derivative of benzoic acid, serving as a critical building block in modern synthetic chemistry. Its value lies in the combination of the versatile boronic ester group, which enables Suzuki-Miyaura cross-coupling reactions, with the reactive carboxylic acid and trifluoromethyl functionalities. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors who require precise molecular construction for developing new active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for compounds containing trifluoromethyl and aryl-boronic acid motifs.
• Agrochemical Synthesis: Used in creating novel herbicides, fungicides, and insecticides where the benzoic acid scaffold and fluorine atoms enhance bioactivity and environmental stability.
• Suzuki-Miyaura Cross-Coupling: Serves as a pivotal coupling partner (boron reagent) for forming carbon-carbon bonds between aromatic rings, a fundamental reaction in medicinal and materials chemistry.
• Liquid Crystal & OLED Materials: Building block for synthesizing advanced organic electronic materials due to its ability to introduce specific steric and electronic properties.
• Metal-Organic Framework (MOF) Synthesis: Used as a linker molecule to construct porous coordination polymers with tailored pore sizes and chemical functionalities.
• Peptide & Protein Modification: Enables site-specific bioconjugation and labeling via reactions with the carboxylic acid group.
• Polymer Chemistry: Monomer or co-monomer for producing specialty polymers with unique thermal, optical, or chemical resistance properties.
• Chemical Biology Probes: Utilized in developing molecular probes and inhibitors for target identification and validation in drug discovery.

Basic Information

Product Name	Benzoic Acid, 4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)-
CAS No.	1383968-53-3
Molecular Formula	C14H16BF3O4
Molecular Weight	316.09 g/mol
Synonyms	3-(Trifluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoic Acid; 2-(4-Carboxy-2-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; Benzoic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-; Pinacol ester of 3-(Trifluoromethyl)-4-boronobenzoic acid
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-3-(Trifluoromethyl)- is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR (1H, 13C, 19F, 11B), and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical parameters. Our production adheres to cGMP standards where applicable, ensuring reliability for research and scale-up processes.

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). This product is hygroscopic (moisture-sensitive) and light-sensitive. For long-term storage, consider storing under an inert atmosphere (argon or nitrogen) to maintain optimal purity and reactivity. Keep away from heat and incompatible materials.

Specification

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

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