Description

Benzoic Acid, 3,4,5-Trifluoro-, 1,1-Dimethylethyl Ester is a high-purity, fluorinated aromatic ester building block designed for advanced chemical synthesis. This compound is valued for its role in introducing the sterically hindered tert-butyl ester and trifluorinated phenyl motifs into target molecules, which are critical for modulating the physicochemical properties of advanced materials and active pharmaceutical ingredients (APIs). It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty materials industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel active pharmaceutical ingredients (APIs), particularly those requiring fluorinated aromatic systems for enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides where the trifluoromethyl and tert-butyl groups contribute to efficacy and environmental persistence.
• Liquid Crystal & OLED Materials: Serves as a precursor in the synthesis of fluorinated aromatic components for electronic display materials and organic light-emitting diodes (OLEDs).
• Polymer Modification: Employed to incorporate fluorinated benzoate units into specialty polymers, improving chemical resistance, thermal stability, and surface properties.
• Cross-Coupling Reactions: An effective substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille) for constructing biaryl systems in medicinal chemistry.
• Protecting Group Strategy: The tert-butyl ester group can act as a robust carboxylic acid protecting group in multi-step synthetic sequences.

Basic Information

Product Name	Benzoic Acid, 3,4,5-Trifluoro-, 1,1-Dimethylethyl Ester
CAS No.	863562-09-8
Molecular Formula	C11H11F3O2
Molecular Weight	232.20 g/mol
Synonyms	tert-Butyl 3,4,5-Trifluorobenzoate; 3,4,5-Trifluorobenzoic Acid tert-Butyl Ester; 1,1-Dimethylethyl 3,4,5-Trifluorobenzoate; 3,4,5-Trifluorobenzoic Acid 1,1-Dimethylethyl Ester; Benzoic Acid, 3,4,5-Trifluoro-, tert-Butyl Ester; tert-Butyl 3,4,5-Trifluorobenzoate; t-Butyl 3,4,5-Trifluorobenzoate
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 3,4,5-Trifluoro-, 1,1-Dimethylethyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our production adheres to cGMP principles 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, well-ventilated area at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. The container should be kept tightly sealed when not in use to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥98.0%
Purity (GC)	≥97.0%
Melting Point	Contact for details
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.