Description

2-[(Hexahydro-4,6-Dioxo-2-Thioxopyrimidin-5-Ylidene)Methyl]Benzoic Acid is a specialized heterocyclic organic compound that serves as a valuable synthetic intermediate and building block in advanced chemical synthesis. Its unique molecular structure, featuring a fused pyrimidine-thione ring system, makes it a critical precursor for developing novel active pharmaceutical ingredients (APIs) and functional materials. This high-purity intermediate is essential for research and production in the pharmaceutical, agrochemical, and fine chemical industries, where precise molecular architecture is required.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, antiviral agents, and enzyme inhibitors.
• Agrochemical Synthesis: Used as a precursor in the development of advanced herbicides, fungicides, and plant growth regulators with specific biological activity.
• Fine Chemical Production: Serves as a versatile intermediate for creating complex dyes, pigments, and specialty chemicals requiring a thioxopyrimidine core.
• Research & Development: Employed in academic and industrial R&D for exploring new chemical entities, structure-activity relationships (SAR), and heterocyclic chemistry.
• Material Science: Potential precursor for organic electronic materials, ligands for metal-organic frameworks (MOFs), and other functional polymers.

Basic Information

Product Name	2-[(Hexahydro-4,6-Dioxo-2-Thioxopyrimidin-5-Ylidene)Methyl]Benzoic Acid
CAS No.	73909-20-3
Molecular Formula	C12H10N2O4S
Molecular Weight	278.28 g/mol
Synonyms	5-[(2-Carboxyphenyl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione; 2-[(4,6-Dioxo-2-thioxohexahydropyrimidin-5-ylidene)methyl]benzoic acid; 5-(2-Carboxybenzylidene)-2-thiobarbituric acid; 5-(o-Carboxybenzylidene)-2-thiobarbituric acid; 2-Thiobarbituric acid, 5-(2-carboxybenzylidene)-; 73909-20-3; 5-(2-Carboxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
EINECS	Contact for details

Quality Control

Our production of 2-[(Hexahydro-4,6-Dioxo-2-Thioxopyrimidin-5-Ylidene)Methyl]Benzoic Acid adheres to stringent quality management systems to ensure batch-to-batch consistency and high purity. Each lot is subjected to comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and residual solvent analysis. Certificates of Analysis (COA) detailing all specifications and test results are provided with every shipment. We support compliance with cGMP and ISO 9001 standards for pharmaceutical and industrial applications.

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 is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed and away from direct light and moisture sources to maintain stability and purity. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	Yellow to light brown crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 98.0%
Loss on Drying	≤ 1.0%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm
Residual Solvents (GC)	Meets ICH guidelines

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