Description

1-Allyl-5,5-Diethyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione is a specialized organosulfur and organosodium compound belonging to the barbiturate derivative class. This chemical is valued for its unique reactivity profile, serving as a versatile building block in advanced organic synthesis and pharmaceutical research. It is primarily utilized by R&D chemists and process development scientists in the fine chemical, agrochemical, and active pharmaceutical ingredient (API) manufacturing sectors.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel barbiturate and thiobarbiturate analogs with potential therapeutic applications.
• Agrochemical Synthesis: Used as a building block for developing new pesticides and herbicides, leveraging its sulfur-containing heterocyclic structure.
• Ligand and Complexation Agent: The sodium thiolate moiety can act as a ligand for metal ions in catalytic systems or material science applications.
• Organic Synthesis Reagent: Employed in nucleophilic substitution and addition reactions to introduce the allyl-thiopyrimidinedione moiety into target molecules.
• Research & Development: A valuable tool compound in medicinal chemistry for structure-activity relationship (SAR) studies and library synthesis.

Basic Information

Product Name	1-Allyl-5,5-Diethyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
CAS No.	66941-61-5
Molecular Formula	C11H15N2NaO2S
Molecular Weight	262.30 g/mol
Synonyms	1-Allyl-5,5-diethyl-2-thiobarbituric acid sodium salt; Sodium 1-allyl-5,5-diethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-4,6-dione; 1-Allyl-5,5-diethyl-2-thiobarbiturate sodium; 2-Thio-1-allyl-5,5-diethylbarbituric acid sodium salt; Sodium 1-allyl-5,5-diethyl-2-thiobarbiturate; 5,5-Diethyl-1-(2-propenyl)-2-thiobarbituric acid sodium salt; CAS 66941-61-5
EINECS	Contact for details

Quality Control

Our 1-Allyl-5,5-Diethyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione is manufactured under strict quality management protocols. Each batch undergoes rigorous analytical testing to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as assay, related substances, and residual solvents. Our quality systems support compliance with cGMP and ISO standards for reliable supply to regulated industries.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., nitrogen or argon) in its original packaging to prevent degradation. Keep away from incompatible materials such as strong acids and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white powder or crystalline solid
Identification (IR)	Conforms to reference spectrum
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 3.0%
Related Substances (HPLC)	Total impurities ≤ 2.0% Any single impurity ≤ 0.5%
Residual Solvents (GC)	Complies with ICH Q3C guidelines

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