Description

2,2,3,3,4,4,4-Heptafluorobutanoic Acid 4-(5-Ethyl-1,3-Dimethyl-2,4,6-Trioxohexahydropyrimidin-5-Yl)Phenyl Ester is a high-value fluorinated specialty chemical that serves as a critical building block in advanced synthesis. This compound is prized for its unique molecular architecture, combining a perfluorinated acid ester moiety with a functionalized pyrimidine derivative, which imparts specific reactivity and properties. It is primarily utilized by research institutions and industrial R&D departments focused on developing novel materials, agrochemicals, and pharmaceutical intermediates where the introduction of fluorine atoms is strategically important.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for candidates requiring fluorinated motifs to enhance metabolic stability, bioavailability, or membrane permeability.
• Agrochemical Research: Used in the development of next-generation herbicides, fungicides, and insecticides, where the fluorinated segment can significantly alter biological activity and environmental persistence.
• Advanced Material Science: Serves as a monomer or functionalizing agent in the creation of specialty polymers, coatings, and liquid crystals with enhanced chemical resistance, thermal stability, or unique surface properties.
• Organic Synthesis Building Block: Employed in academic and industrial laboratories for constructing complex molecules, leveraging its reactive ester group for coupling reactions and its fluorinated chain to modulate electronic and steric effects.
• Fluorine Chemistry Studies: An important compound for research into the behavior and applications of heavily fluorinated organic molecules in various chemical environments.

Basic Information

Product Name	2,2,3,3,4,4,4-Heptafluorobutanoic Acid 4-(5-Ethyl-1,3-Dimethyl-2,4,6-Trioxohexahydropyrimidin-5-Yl)Phenyl Ester
CAS No.	55429-88-4
Molecular Formula	C18H15F7N2O5
Molecular Weight	472.32 g/mol
Synonyms	4-(5-Ethyl-1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)phenyl heptafluorobutanoate; 5-Ethyl-5-[4-[(heptafluorobutanoyl)oxy]phenyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; Heptafluorobutyric Acid 4-(5-Ethyl-1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)phenyl Ester; 55429-88-4; 5-Ethyl-5-(4-heptafluorobutyryloxyphenyl)-1,3-dimethylbarbituric Acid; Barbiturate Heptafluorobutyrate Ester
EINECS	Contact for details

Quality Control

Our production of 2,2,3,3,4,4,4-Heptafluorobutanoic Acid 4-(5-Ethyl-1,3-Dimethyl-2,4,6-Trioxohexahydropyrimidin-5-Yl)Phenyl Ester adheres to a stringent quality management system. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via NMR and mass spectrometry, to ensure it meets precise customer specifications and high-purity research-grade standards. A detailed Certificate of Analysis (COA) documenting all test results is provided with every shipment.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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