Description

Ethyl 5-(3,5-Ditrifluoromethylphenyl)-5-Oxovalerate is a high-value, fluorinated organic intermediate characterized by its unique keto-ester functionality flanked by trifluoromethyl groups. This compound matters for its role as a critical building block in the synthesis of advanced pharmaceutical agents and agrochemicals, where the introduction of fluorine atoms is key to enhancing metabolic stability, bioavailability, and lipophilicity. It is primarily needed by research and development chemists, process scale-up teams, and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammation, and metabolic diseases.
• Agrochemical Synthesis: Serves as a building block for novel herbicides, fungicides, and insecticides, where the trifluoromethyl groups contribute to improved pest selectivity and environmental persistence.
• Material Science Research: Used in the development of fluorinated polymers, liquid crystals, and organic electronic materials due to its ability to modify electronic properties and solubility.
• Chemical Biology Probes: Employed in the design and synthesis of fluorinated probes and tags for studying biological mechanisms and drug-target interactions.
• Custom Synthesis & Contract Manufacturing: An essential substrate for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the life sciences sector.

Basic Information

Product Name	Ethyl 5-(3,5-Ditrifluoromethylphenyl)-5-Oxovalerate
CAS No.	898792-94-4
Molecular Formula	C15H14F6O3
Molecular Weight	356.26 g/mol
Synonyms	5-Oxo-5-[3,5-bis(trifluoromethyl)phenyl]pentanoic acid ethyl ester; Ethyl 5-oxo-5-[3,5-bis(trifluoromethyl)phenyl]valerate; 3,5-Bis(trifluoromethyl)benzoylbutyric acid ethyl ester; Ethyl 4-(3,5-bis(trifluoromethyl)benzoyl)butyrate; 898792-94-4; Ethyl 5-(3,5-bis(trifluoromethyl)phenyl)-5-oxopentanoate
EINECS	Contact for details

Quality Control

Our Ethyl 5-(3,5-Ditrifluoromethylphenyl)-5-Oxovalerate 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 quality attributes. Our production adheres to cGMP principles where applicable, ensuring reliability for your most demanding R&D and scale-up processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (typically 15-25°C). Keep away from strong bases and incompatible materials such as strong oxidizing agents. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

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%
Heavy Metals	≤ 20 ppm

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