Description

5-[1-(Allylthio)Ethyl]-5-Isobutyl-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione is a specialized organosulfur pyrimidinedione derivative, valued for its role as a key synthetic intermediate in advanced organic synthesis. Its molecular structure, featuring both an allylthioether and a sodium enolate, makes it a versatile building block for constructing complex heterocyclic systems. This compound is primarily utilized by research institutions and pharmaceutical development laboratories engaged in the creation of novel active pharmaceutical ingredients (APIs) and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel therapeutic agents, particularly those targeting neurological or metabolic pathways.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its heterocyclic core for bioactivity.
• Material Science: Acts as a monomer or cross-linking agent in the research of specialty polymers with unique thermal or chemical resistance properties.
• Chemical Synthesis: Employed in academic and industrial R&D for constructing complex sulfur-containing heterocycles and studying nucleophilic addition reactions.
• Ligand & Catalyst Development: Investigated for use in designing novel ligands for transition metal catalysis due to its sulfur and oxygen donor atoms.

Basic Information

Product Name	5-[1-(Allylthio)Ethyl]-5-Isobutyl-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione
CAS No.	66941-88-6
Molecular Formula	C13H19N2NaO3S
Molecular Weight	306.36 g/mol
Synonyms	Sodium 5-[1-(allylthio)ethyl]-5-isobutylbarbiturate; 5-(1-Allylthioethyl)-5-isobutylbarbituric acid sodium salt; 5-(1-Allylsulfanylethyl)-5-isobutyl-2-sodiooxy-1H,3H,5H-pyrimidine-4,6-dione; Allylthioethylisobutylbarbituric Acid Sodium Salt; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[1-(2-propen-1-ylthio)ethyl]-5-(2-methylpropyl)-, sodium salt (1:1)
EINECS	Contact for details

Quality Control

Our production of 5-[1-(Allylthio)Ethyl]-5-Isobutyl-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione adheres to strict in-process controls to ensure batch-to-batch consistency and high chemical purity. Each lot is fully characterized and undergoes rigorous analytical testing, including HPLC for assay and purity determination. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance protocols.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white powder or crystalline solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 3.0%
Residue on Ignition	≤ 0.5%
Heavy Metals (as Pb)	≤ 20 ppm

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