Description

β-Oxo-4-(Trifluoromethyl)-Benzenepropanoic Acid 1,1-Dimethylethyl Ester is a high-purity, advanced pharmaceutical intermediate characterized by its trifluoromethyl-substituted aromatic structure. This compound is critical for the synthesis of complex active pharmaceutical ingredients (APIs), where it serves as a key building block to introduce specific pharmacophores and modulate the physicochemical properties of target molecules. It is primarily utilized by research institutions and manufacturers in the pharmaceutical and agrochemical sectors for the development of novel therapeutic agents and crop protection products.

Application

• Pharmaceutical Intermediate: A key synthon in the multi-step synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, inflammatory diseases, and oncology.
• Agrochemical Synthesis: Used in the research and development of advanced herbicides and pesticides, where the trifluoromethyl group enhances biological activity and environmental stability.
• Material Science Research: Serves as a precursor for specialty chemicals and functional materials, including liquid crystals and organic electronic components.
• Organic Synthesis Building Block: Employed in academic and industrial R&D for constructing complex organic molecules via reactions at the β-keto ester functionality.
• Fluorine Chemistry Studies: An important compound for investigating the effects of fluorine substitution on reaction pathways and molecular properties in medicinal chemistry.

Basic Information

Product Name	β-Oxo-4-(Trifluoromethyl)-Benzenepropanoic Acid 1,1-Dimethylethyl Ester
CAS No.	502424-53-5
Molecular Formula	C14H15F3O3
Molecular Weight	288.26 g/mol
Synonyms	tert-Butyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate; 4-(Trifluoromethyl)benzoylacetic acid tert-butyl ester; 3-Oxo-3-[4-(trifluoromethyl)phenyl]propionic acid tert-butyl ester; tert-Butyl 4-(trifluoromethyl)benzoylacetate; β-Oxo-β-[4-(trifluoromethyl)phenyl]propionic acid tert-butyl ester; 1,1-Dimethylethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate
EINECS	Contact for details

Quality Control

Our production of β-Oxo-4-(Trifluoromethyl)-Benzenepropanoic Acid 1,1-Dimethylethyl Ester adheres to stringent quality management systems to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to confirm identity, potency, and impurity profiles. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support cGMP compliance for pharmaceutical applications and can tailor specifications to meet specific project requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture. Keep away from heat sources and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Related Substances (HPLC)	Any individual impurity ≤ 0.5%; Total impurities ≤ 1.0%

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