Description

5-Pyrimidinecarboxylic Acid, 1,4-Dihydro-4-Oxo-6-(Pentafluoroethyl)-2-(Trifluoromethyl)- is a highly fluorinated pyrimidine derivative, a specialized heterocyclic building block of significant interest in advanced organic synthesis. Its core value lies in its unique molecular architecture, which incorporates multiple fluorine-containing functional groups that can dramatically alter the physicochemical properties of target molecules. This compound is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of novel active ingredients, where its structure serves as a key intermediate for creating compounds with enhanced metabolic stability, bioavailability, and binding affinity.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of novel drug candidates, particularly in oncology, antiviral, and central nervous system (CNS) therapeutic areas.
• Agrochemical Research: Used in the development of next-generation herbicides, fungicides, and insecticides, where the fluorine atoms contribute to improved lipophilicity and environmental persistence.
• Material Science Precursor: Serves as a specialty monomer or additive in the research of advanced polymers and coatings with specific chemical resistance or surface properties.
• Chemical Biology Probe Development: Utilized in creating labeled compounds or molecular probes for studying biological pathways and enzyme mechanisms.
• Fluorine Chemistry Research: An important substrate for methodological studies in organofluorine chemistry, exploring new fluorination or functionalization reactions.

Basic Information

Item	Details
Product Name	5-Pyrimidinecarboxylic Acid, 1,4-Dihydro-4-Oxo-6-(Pentafluoroethyl)-2-(Trifluoromethyl)-
CAS No.	170865-76-6
Molecular Formula	C9H3F8NO3
Molecular Weight	325.11 g/mol
Synonyms	6-(Pentafluoroethyl)-2-(trifluoromethyl)-1,4-dihydro-4-oxopyrimidine-5-carboxylic acid; 4-Oxo-6-(pentafluoroethyl)-2-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxylic acid; 1,4-Dihydro-4-oxo-6-(pentafluoroethyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid; 170865-76-6; Pentafluoroethyl-trifluoromethyl-dihydro-oxo-pyrimidinecarboxylic acid
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management protocols to ensure batch-to-batch consistency and high purity. Each lot is characterized using modern analytical techniques including HPLC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment. We support development and scale-up needs with custom purity grades, including research and GMP standards for pre-clinical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is sensitive to fluoride/strong alkali. Keep away from incompatible materials. For long-term storage, consider inert atmosphere conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 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.