Description

[[1,4-Dihydro-4-Oxo-6-(Trifluoromethyl)-2-Pyrimidinyl]Thio]-Acetic Acid is a high-purity, specialized heterocyclic building block featuring a pyrimidinone core functionalized with a thioacetic acid side chain and a trifluoromethyl group. This compound matters for its role as a critical intermediate in the synthesis of advanced active pharmaceutical ingredients (APIs) and agrochemicals, where the trifluoromethyl group is prized for enhancing metabolic stability and lipophilicity. It is primarily needed by research and development chemists, process development scientists, and manufacturers in the pharmaceutical, agrochemical, and fine chemical industries seeking to incorporate this unique molecular scaffold into novel compounds.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel antiviral, anticancer, and anti-inflammatory drug candidates, leveraging the bioisosteric properties of the trifluoromethyl group.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the pyrimidinone structure contributes to biological activity.
• Chemical Biology & Medicinal Chemistry: Serves as a versatile building block in fragment-based drug discovery and for creating targeted molecular probes.
• Fine Chemical Production: Employed in custom synthesis and contract manufacturing for producing high-value, complex organic molecules.
• Material Science Research: Investigated as a precursor for functionalized materials and ligands in catalysis due to its sulfur and nitrogen donor atoms.

Basic Information

Product Name	[[1,4-Dihydro-4-Oxo-6-(Trifluoromethyl)-2-Pyrimidinyl]Thio]-Acetic Acid
CAS No.	836-12-4
Molecular Formula	C7H5F3N2O3S
Molecular Weight	254.19 g/mol
Synonyms	6-(Trifluoromethyl)-2-mercapto-4(3H)-pyrimidinone acetic acid; 2-[[4-Oxo-6-(trifluoromethyl)-1,4-dihydro-2-pyrimidinyl]thio]acetic acid; (4-Oxo-6-trifluoromethyl-1,4-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid; 2-Mercapto-6-trifluoromethyl-4-pyrimidinol acetic acid; 2-[(4-Oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl)thio]acetic acid; 6-Trifluoromethyl-2-thiouracil-1-acetic acid; TFA-Pyrimidinone thioacetate; CAS 836-12-4
EINECS	Contact for details

Quality Control

Our [[1,4-Dihydro-4-Oxo-6-(Trifluoromethyl)-2-Pyrimidinyl]Thio]-Acetic Acid is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via IR and NMR, to ensure it meets the high standards required for pharmaceutical and agrochemical R&D. Certificates of Analysis (COA) with detailed batch-specific results are provided to guarantee traceability, consistency, and compliance with your project specifications.

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). This compound may be moisture-sensitive; keep the container tightly sealed in a dry environment. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
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.