Description

Isopropyl 4,4,4-Trifluoroacetoacetate is a versatile fluorinated β-ketoester building block, prized for its role in introducing the trifluoromethyl group into complex molecular architectures. This compound is essential for synthesizing advanced intermediates in pharmaceutical and agrochemical research, offering a critical handle for modulating the lipophilicity and metabolic stability of target molecules. It is primarily sought by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and crop protection industries.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) containing trifluoromethyl groups, particularly in antiviral, anticancer, and central nervous system (CNS) drugs.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides where the trifluoromethyl moiety enhances biological activity and environmental stability.
• Ligand and Catalyst Development: Serves as a precursor for β-diketonate ligands used in coordination chemistry and catalysis.
• Material Science Research: Employed in the synthesis of fluorinated polymers and specialty materials with unique surface properties and chemical resistance.
• Fluorine Chemistry Research: A fundamental reagent for studying nucleophilic trifluoromethylation reactions and developing new fluorination methodologies.

Basic Information

Product Name	Isopropyl 4,4,4-Trifluoroacetoacetate
CAS No.	175230-50-9
Molecular Formula	C7H9F3O3
Molecular Weight	198.14 g/mol
Synonyms	4,4,4-Trifluoro-3-oxobutanoic Acid Isopropyl Ester; Isopropyl 4,4,4-Trifluoro-3-oxobutanoate; 3-Oxobutanoic Acid, 4,4,4-Trifluoro-, Isopropyl Ester; 4,4,4-Trifluoroacetoacetic Acid Isopropyl Ester; Isopropyl Trifluoroacetoacetate; TFAA-IP; ITFAA
EINECS	Contact for details

Quality Control

Our Isopropyl 4,4,4-Trifluoroacetoacetate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including GC/HPLC for purity and identity confirmation, to ensure it meets the high standards required for research and industrial synthesis. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic nature, keep the container tightly sealed when not in use to minimize exposure to atmospheric moisture.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms
Purity (GC/HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%

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