Description

4,4,4-Trifluoro-Acetoacetic Acid tert-Butyl Ester is a versatile fluorinated building block essential for advanced organic synthesis. Its core value lies in introducing the trifluoromethyl group, a key structural motif that significantly alters the physicochemical properties of target molecules, enhancing metabolic stability and lipophilicity. This high-purity intermediate is critically needed by pharmaceutical, agrochemical, and specialty chemical R&D teams for developing novel active ingredients, particularly in the creation of protease inhibitors and other bioactive compounds.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), especially protease inhibitors and other drugs where the trifluoromethyl group is crucial for bioactivity.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and pesticides, leveraging the fluorine atom to improve efficacy and environmental profile.
• Fluorinated Material Precursor: Serves as a starting material for synthesizing specialty polymers, liquid crystals, and electronic chemicals with enhanced thermal and chemical stability.
• Organic Synthesis Reagent: Acts as a nucleophile in Claisen condensations and Michael additions for constructing complex, fluorinated molecular architectures in academic and industrial research.
• PET Tracer Development: Potential utility in the synthesis of fluorine-18 labeled compounds for Positron Emission Tomography (PET) imaging agents.

Basic Information

Product Name	4,4,4-Trifluoro-Acetoacetic Acid tert-Butyl Ester
CAS No.	26717-75-9
Molecular Formula	C8H11F3O3
Molecular Weight	212.17 g/mol
Synonyms	tert-Butyl 4,4,4-trifluoroacetoacetate; 4,4,4-Trifluoro-3-oxobutanoic acid tert-butyl ester; 3-Oxo-4,4,4-trifluorobutanoic acid tert-butyl ester; 1,1-Dimethylethyl 4,4,4-trifluoro-3-oxobutanoate; Trifluoroacetoacetic acid tert-butyl ester; TFAA-t-Bu ester; tert-Butyl trifluoroacetoacetate
EINECS	Contact for details

Quality Control

Our 4,4,4-Trifluoro-Acetoacetic Acid tert-Butyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including GC, HPLC, and NMR, to ensure high chemical purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its highly volatile nature and sensitivity to fluoride/strong alkali, keep away from incompatible materials and sources of ignition. Keep container tightly sealed when not in use to prevent evaporation and moisture ingress.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 98.0%
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.