Description

4-(3,5-Ditrifluoromethylphenyl)-4-Oxobutyric Acid is a high-value fluorinated organic intermediate characterized by its unique aryl ketone and carboxylic acid functionalities. This compound is critical for the synthesis of advanced pharmaceutical agents and agrochemicals, where the introduction of trifluoromethyl groups significantly enhances metabolic stability and bioavailability. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in kinase inhibitors and other targeted therapies.
• Agrochemical Synthesis: Used in the development of novel herbicides and fungicides, leveraging the bioactivity of the trifluoromethylphenyl moiety.
• Ligand and Catalyst Precursor: Serves as a precursor for chiral ligands or metal-organic frameworks (MOFs) used in asymmetric catalysis.
• Advanced Material Research: Employed in the development of organic semiconductors and liquid crystals due to its aromatic and fluorinated structure.
• Custom Synthesis & Contract Manufacturing: A vital starting material for custom synthesis projects and scale-up processes under cGMP conditions.
• Academic & Industrial R&D: Used in research laboratories for method development and exploring new chemical entities.

Basic Information

Product Name	4-(3,5-Ditrifluoromethylphenyl)-4-Oxobutyric Acid
CAS No.	898788-04-0
Molecular Formula	C12H8F6O3
Molecular Weight	314.18 g/mol
Synonyms	4-Oxo-4-[3,5-bis(trifluoromethyl)phenyl]butanoic acid; 3,5-Bis(trifluoromethyl)benzoylacetic acid; 4-[3,5-Bis(trifluoromethyl)phenyl]-4-oxobutanoic acid; γ-Oxo-3,5-bis(trifluoromethyl)benzenebutanoic acid; 898788-04-0; 4-(3,5-Bis(trifluoromethyl)phenyl)-4-oxobutyric acid; Butanoic acid, 4-oxo-4-[3,5-bis(trifluoromethyl)phenyl]-
EINECS	Contact for details

Quality Control

Our 4-(3,5-Ditrifluoromethylphenyl)-4-Oxobutyric Acid is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. We provide full traceability and detailed Certificates of Analysis (COA) with each shipment. Our quality commitment aligns with ICH guidelines and supports development from research to commercial scale.

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). Due to its hygroscopic nature, the container must be kept tightly sealed in a dry environment to prevent moisture absorption. Keep away from incompatible materials such as strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
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.