Description

2-[3-(Trifluoromethyl)-β-Oxophenethyl]Benzoic Acid is a high-value fluorinated organic intermediate with a unique molecular structure combining benzoic acid and trifluoromethyl ketone functionalities. This compound matters for its critical role in the synthesis of advanced pharmaceutical agents and agrochemicals, where the trifluoromethyl group is prized for enhancing metabolic stability and bioavailability. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecules.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel active pharmaceutical ingredients (APIs), particularly in central nervous system (CNS) and anti-inflammatory drug candidates.
• Agrochemical Synthesis: Used in the development of advanced herbicides and fungicides, where the trifluoromethyl group contributes to efficacy and environmental persistence.
• Ligand and Catalyst Precursor: Serves as a starting material for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the development of organic electronic materials and liquid crystals due to its specific electronic properties imparted by the fluorine atoms.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for custom synthesis projects and scale-up processes.

Basic Information

Product Name	2-[3-(Trifluoromethyl)-β-Oxophenethyl]Benzoic Acid
CAS No.	50439-12-8
Molecular Formula	C₁₆H₁₁F₃O₃
Molecular Weight	308.25 g/mol
Synonyms	2-[2-(3-Trifluoromethylphenyl)-2-oxoethyl]benzoic acid; 2-[3-(Trifluoromethyl)benzoyl]methyl]benzoic acid; 2-[2-Oxo-2-(3-trifluoromethylphenyl)ethyl]benzoic acid; Benzoic acid, 2-[2-[3-(trifluoromethyl)phenyl]-2-oxoethyl]-; 3'-Trifluoromethyl-2-phenacylbenzoic acid; α-(2-Carboxyphenyl)-3-(trifluoromethyl)acetophenone; 50439-12-8 (CAS Registry Number)
EINECS	Contact for details

Quality Control

Our 2-[3-(Trifluoromethyl)-β-Oxophenethyl]Benzoic Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for advanced synthetic applications. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment to guarantee traceability and consistency for your critical R&D and production processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (typically 15-25°C). The compound may be light-sensitive; prolonged exposure to light should be avoided. Keep the container tightly sealed to minimize exposure to atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Purity (HPLC, Area %)	≥ 99.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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