Description

1-(3,4-Dimethoxyphenyl)-4,4,4-Trifluorobutane-1,3-Dione is a specialized fluorinated diketone building block of significant interest in advanced organic synthesis. Its core value lies in its unique trifluoromethylated β-diketone structure, which serves as a versatile precursor for synthesizing complex heterocycles and fluorinated pharmacophores. This compound is essential for R&D chemists and process development scientists in the pharmaceutical and agrochemical industries, where it is used to introduce fluorine atoms and specific molecular scaffolds to enhance the biological activity and metabolic stability of target molecules.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel active pharmaceutical ingredients (APIs), particularly in creating fluorinated analogs with improved potency and pharmacokinetic profiles.
• Agrochemical Research: Used in the synthesis of advanced herbicides, fungicides, and insecticides, where the trifluoromethyl group can confer enhanced lipophilicity and environmental stability.
• Ligand and Catalyst Development: Serves as a precursor for β-diketonate ligands used in coordination chemistry and catalysis, especially for metals where fluorinated ligands can modulate reactivity.
• Material Science Precursor: Employed in the synthesis of fluorinated organic compounds for specialty polymers, coatings, and electronic materials requiring specific dielectric or surface properties.
• Chemical Biology Probe Synthesis: Utilized to create fluorinated tags and probes for studying biological mechanisms and interactions via techniques like 19F NMR.

Basic Information

Product Name	1-(3,4-Dimethoxyphenyl)-4,4,4-Trifluorobutane-1,3-Dione
CAS No.	63458-98-0
Molecular Formula	C12H11F3O4
Molecular Weight	276.21 g/mol
Synonyms	4,4,4-Trifluoro-1-(3,4-dimethoxyphenyl)butane-1,3-dione; 3,4-Dimethoxyphenyl 4,4,4-trifluoroacetoacetate; 1-(3,4-Dimethoxyphenyl)-4,4,4-trifluoro-1,3-butanedione; 4,4,4-Trifluoro-1-(3,4-dimethoxyphenyl)-1,3-butanedione; 3',4'-Dimethoxy-4,4,4-trifluoroacetylacetophenone
EINECS	Contact for details

Quality Control

Our 1-(3,4-Dimethoxyphenyl)-4,4,4-Trifluorobutane-1,3-Dione is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via NMR and IR spectroscopy, to ensure it meets the high standards required for research and scale-up applications. Certificates of Analysis (COA) detailing batch-specific results are provided to guarantee traceability and consistency for our global B2B clients.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from strong bases and oxidizing agents. For long-term storage under an inert atmosphere, please contact us for specific recommendations.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.