Description

6,6,6-Trifluoro-3,5-Dioxo-Hexanoic Acid, 1,1-Dimethylethyl Ester is a high-purity fluorinated β-diketone ester building block. This compound is a critical synthetic intermediate valued for its unique trifluoromethyl group and reactive diketone functionality, enabling the introduction of fluorinated motifs into complex molecules. It is primarily sought by research and development teams in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients, where its properties can enhance metabolic stability and bioavailability.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of fluorinated active pharmaceutical ingredients (APIs), particularly in oncology and central nervous system (CNS) drug discovery.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the fluorine atoms improve efficacy and environmental persistence.
• Advanced Material Precursor: Serves as a monomer or cross-linking agent in the development of specialty polymers and coatings with tailored surface properties.
• Chemical Research & Development: A versatile reagent for constructing complex heterocycles and fluorinated molecular scaffolds in academic and industrial R&D settings.
• Ligand Synthesis for Catalysis: Employed in the preparation of fluorinated β-diketonate ligands used in coordination chemistry and catalytic processes.

Basic Information

Product Name	6,6,6-Trifluoro-3,5-Dioxo-Hexanoic Acid, 1,1-Dimethylethyl Ester
CAS No.	387866-39-9
Molecular Formula	C10H13F3O4
Molecular Weight	254.20 g/mol
Synonyms	tert-Butyl 6,6,6-trifluoro-3,5-dioxohexanoate; 1,1-Dimethylethyl 6,6,6-Trifluoro-3,5-dioxohexanoate; 6,6,6-Trifluoro-3,5-dioxohexanoic Acid tert-Butyl Ester; tert-Butyl 4,4,4-trifluoro-3-oxobutanoylacetate; TFDOHA tert-Butyl Ester; Trifluoromethyl-substituted β-Diketone Ester; 4,4,4-Trifluoro-1-(2-tert-butoxy-2-oxoethyl)butane-1,3-dione
EINECS	Contact for details

Quality Control

Our 6,6,6-Trifluoro-3,5-Dioxo-Hexanoic Acid, 1,1-Dimethylethyl Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure high chemical purity and identity confirmation. Certificates of Analysis (COA) detailing all specifications are provided with each shipment. We support cGMP compliance for pharmaceutical applications and can tailor quality documentation to meet specific client and regulatory requirements.

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 acids and incompatible organic solvents. The container should be kept tightly sealed in a dry environment to minimize exposure to moisture.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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