Description

Heptafluorobutanoic Acid 3-(5-Ethylhexahydro-1,3-Dimethyl-2,4,6-Trioxopyrimidin-5-Yl)-1-Methylbutyl Ester is a specialized fluorinated organic compound that serves as a high-value intermediate in advanced chemical synthesis. Its unique molecular architecture, featuring both a perfluorinated acid moiety and a heterocyclic uracil-derived ester, makes it a critical building block for creating compounds with tailored properties. This product is essential for research and development chemists in the pharmaceutical and agrochemical sectors, where it is used to introduce fluorine atoms and specific functional groups to modulate the bioactivity, metabolic stability, and physical characteristics of target molecules.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for introducing fluorinated segments to enhance drug potency and pharmacokinetics.
• Agrochemical Research: Used in developing advanced herbicides, fungicides, and insecticides where the fluorinated component can improve efficacy and environmental profile.
• Material Science: Serves as a monomer or modifier in the production of specialty polymers and coatings to impart oil-repellency, chemical resistance, and low surface energy.
• Liquid Crystal & Electronic Chemicals: Potential building block for fluorinated liquid crystal compounds and dielectric materials used in display and semiconductor technologies.
• Organic Synthesis Reagent: Employed in academic and industrial R&D labs as a versatile reagent for constructing complex molecular frameworks via esterification and condensation reactions.

Basic Information

Product Name	Heptafluorobutanoic Acid 3-(5-Ethylhexahydro-1,3-Dimethyl-2,4,6-Trioxopyrimidin-5-Yl)-1-Methylbutyl Ester
CAS No.	55429-80-6
Molecular Formula	C16H19F7N2O5
Molecular Weight	452.33 g/mol
Synonyms	5-Ethyl-5-[(3-methylbutyl)oxycarbonyl]-1,3-dimethylbarbituric acid heptafluorobutanoate; 1-Methylbutyl 3-(5-ethyl-1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl) heptafluorobutanoate; Heptafluorobutyric Acid Ester with 5-Ethyl-5-(3-methylbutoxycarbonyl)-1,3-dimethylbarbituric Acid; 5-(1-Methylbutoxycarbonyl)-5-ethyl-1,3-dimethylbarbituric Acid Heptafluorobutyrate; Barbiturate Heptafluorobutyrate Ester; HFB Ester of Barbiturate Derivative
EINECS	Contact for details

Quality Control

Our Heptafluorobutanoic Acid 3-(5-Ethylhexahydro-1,3-Dimethyl-2,4,6-Trioxopyrimidin-5-Yl)-1-Methylbutyl Ester is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and GC-MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to meet specific customer or regulatory requirements.

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). Keep away from incompatible materials such as strong bases and sources of ignition. For long-term storage, consider maintaining the product under an inert atmosphere to preserve stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Loss on Drying	≤ 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.