Description

3-Oxo-3-(2,4,5-Trifluoro-3-Methoxy-Phenyl)-Propionic Acid Ethyl Ester is a high-purity fluorinated aromatic β-keto ester building block, essential for the synthesis of complex active pharmaceutical ingredients (APIs). Its molecular structure, featuring a trifluoromethoxy-substituted phenyl ring, provides unique electronic and steric properties critical for modulating the bioavailability and metabolic stability of target compounds. This intermediate is primarily sought by pharmaceutical R&D and process chemistry teams for the development of new drug candidates, particularly in therapeutic areas requiring fluorinated motifs.

Application

• Pharmaceutical Intermediate: A key synthon in the multi-step synthesis of novel fluorinated drug molecules, including potential antivirals, CNS agents, and anti-inflammatory compounds.
• Agrochemical Research: Serves as a precursor for developing advanced pesticides and herbicides, where the fluorine atoms enhance lipophilicity and environmental stability.
• Material Science: Used in the research and development of specialty polymers and liquid crystals, where fluorinated aromatic units impart specific optical and thermal properties.
• Organic Synthesis Building Block: Employed in Claisen condensations, Michael additions, and other C-C bond-forming reactions to construct complex molecular architectures.
• Contract Manufacturing (CMO): Supplied to contract research and manufacturing organizations (CROs/CMOs) for custom synthesis projects under GMP or non-GMP conditions.

Basic Information

Product Name	3-Oxo-3-(2,4,5-Trifluoro-3-Methoxy-Phenyl)-Propionic Acid Ethyl Ester
CAS No.	112811-68-4
Molecular Formula	C12H11F3O4
Molecular Weight	276.21 g/mol
Synonyms	Ethyl 3-(2,4,5-Trifluoro-3-methoxyphenyl)-3-oxopropanoate; Ethyl 2,4,5-Trifluoro-3-methoxybenzoylacetate; 3-Oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoic acid ethyl ester; 2,4,5-Trifluoro-3-methoxy-β-ketobutyric acid ethyl ester; 3-(2,4,5-Trifluoro-3-methoxyphenyl)-3-oxopropionic Acid Ethyl Ester; 112811-68-4; Ethyl (2,4,5-Trifluoro-3-methoxybenzoyl)acetate
EINECS	Contact for details

Quality Control

Our production of 3-Oxo-3-(2,4,5-Trifluoro-3-Methoxy-Phenyl)-Propionic Acid Ethyl Ester adheres to stringent quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and MS, to ensure identity, purity, and consistency. We provide detailed Certificates of Analysis (COA) with each shipment, documenting all critical parameters. Our quality commitment supports applications requiring high-purity intermediates, and we can tailor specifications to meet specific project needs, including those for pre-clinical and clinical-stage materials.

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). The compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen) for long-term storage to prevent degradation. Keep away from strong oxidizing agents, strong bases, and heat sources.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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