Description

2,2,3,3,4,4,4-Heptafluorobutanoic Acid 3-[Hexahydro-1,3-Dimethyl-2,4,6-Trioxo-5-(2-Propenyl)Pyrimidin-5-Yl]-1-Methylbutyl Ester is a specialized fluorinated organic compound that combines a perfluorinated acid moiety with a complex uracil-derived ester structure. This unique molecular architecture makes it a valuable intermediate for synthesizing advanced materials and active pharmaceutical ingredients (APIs) where fluorine incorporation is critical for modulating properties like stability, lipophilicity, and bioavailability. It is primarily sought by research and development teams in the pharmaceutical, agrochemical, and advanced materials sectors for creating novel compounds with enhanced performance characteristics.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of fluorinated active pharmaceutical ingredients (APIs) and prodrugs, particularly in antiviral and anticancer research.
• Agrochemical Synthesis: Used in the development of next-generation herbicides and pesticides, where the fluorine atoms enhance biological activity and environmental stability.
• Advanced Material Precursor: Serves as a monomer or modifier in the production of specialty polymers and coatings with unique surface properties, such as oil and water repellency.
• Chemical Research & Development: A versatile reagent for organic synthesis, enabling the introduction of both fluorinated and heterocyclic components into target molecules.
• Liquid Crystal & Electronic Material: Potential use in the synthesis of fluorinated components for liquid crystal displays (LCDs) and other electronic materials.

Basic Information

Product Name	2,2,3,3,4,4,4-Heptafluorobutanoic Acid 3-[Hexahydro-1,3-Dimethyl-2,4,6-Trioxo-5-(2-Propenyl)Pyrimidin-5-Yl]-1-Methylbutyl Ester
CAS No.	55429-89-5
Molecular Formula	C18H21F7N2O5
Molecular Weight	478.37 g/mol
Synonyms	5-Allyl-5-(1-methylbutyl)barbituric acid heptafluorobutyrate; 5-Allyl-5-(1-methylbutyl)barbituric acid 2,2,3,3,4,4,4-heptafluorobutanoate; Heptafluorobutyric acid, ester with 5-allyl-5-(1-methylbutyl)barbituric acid; 5-Allyl-5-sec-butylbarbituric acid heptafluorobutyryl ester; CAS 55429-89-5; 1-Butyl, 3-allyl, 5-(2,2,3,3,4,4,4-heptafluorobutanoyl) barbituric acid
EINECS	Contact for details

Quality Control

Our production of 2,2,3,3,4,4,4-Heptafluorobutanoic Acid 3-[Hexahydro-1,3-Dimethyl-2,4,6-Trioxo-5-(2-Propenyl)Pyrimidin-5-Yl]-1-Methylbutyl Ester adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via IR and NMR spectroscopy, to ensure consistent quality and specification compliance. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting critical parameters. We support cGMP standards for pharmaceutical applications and can tailor quality specifications to meet specific project 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 strong acids, bases, and oxidizing agents. Due to its complex organic ester nature, prolonged exposure to elevated temperatures or moisture should be avoided to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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