Description

Methyl6,6,6-Trifluoro-5-Oxohexanoate CAS NO 1161004-61-0 is a high-purity fluorinated ketoester building block, a key intermediate in advanced organic synthesis. Its trifluoromethyl and ketone functionalities make it a versatile precursor for creating complex molecules with enhanced metabolic stability and lipophilicity. This compound is essential for researchers and manufacturers in the pharmaceutical and agrochemical industries developing novel active ingredients.

Application

• Pharmaceutical Intermediate: A critical synthon for the synthesis of fluorinated drug candidates, particularly in protease inhibitors and kinase-targeted therapies.
• Agrochemical Synthesis: Used in the development of novel herbicides and pesticides, where the trifluoromethyl group improves biological activity and environmental persistence.
• Material Science Research: Serves as a monomer or precursor for specialty polymers and coatings with unique surface properties.
• Fluorine Chemistry: A valuable reagent for introducing the CF3 group into complex molecular architectures via subsequent transformations.
• Chemical Development: Employed in process chemistry for route scouting and scale-up of fluorinated target molecules.

Basic Information

Product Name	Methyl 6,6,6-Trifluoro-5-oxohexanoate
CAS No.	1161004-61-0
Molecular Formula	C7H9F3O3
Molecular Weight	198.14 g/mol
Synonyms	Methyl 6,6,6-trifluoro-5-oxohexanoate; 5-Oxo-6,6,6-trifluorohexanoic acid methyl ester; Methyl 5-oxo-6,6,6-trifluorohexanoate; 6,6,6-Trifluoro-5-oxo-hexanoic acid methyl ester; Hexanoic acid, 6,6,6-trifluoro-5-oxo-, methyl ester
EINECS	Contact for details

Quality Control

Our Methyl 6,6,6-Trifluoro-5-oxohexanoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with every shipment, detailing all relevant specifications. Our quality commitment supports compliance with cGMP and ICH guidelines for advanced intermediates.

Storage

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

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH limits

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