Description

3-Thioxoglutaric Acid Diethyl Ester is a specialized sulfur-containing derivative of glutaric acid, serving as a high-value synthetic intermediate. This compound matters for its unique thiocarbonyl functionality, which enables its use in constructing complex heterocyclic scaffolds and as a key precursor in advanced organic synthesis. Industries that need it include pharmaceutical R&D for drug discovery, agrochemical manufacturing for novel active ingredients, and academic research laboratories focused on developing new synthetic methodologies.

Application

• Pharmaceutical Intermediate: A crucial building block for synthesizing thiazole, thiophene, and other sulfur-containing heterocycles with potential biological activity.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides that incorporate sulfur-based pharmacophores.
• Organic Synthesis Reagent: Acts as a versatile C3 synthon with a masked thiol group for Michael additions, cyclocondensation reactions, and the preparation of functionalized dicarbonyl compounds.
• Material Science Research: Investigated as a precursor for organic electronic materials and metal-organic frameworks (MOFs) due to its chelating potential.
• Flavor & Fragrance Industry: Potential intermediate for synthesizing sulfur-containing aroma compounds, though specific applications require validation.
• Academic & R&D: Serves as a specialized starting material in methodological studies and for exploring new reaction pathways in synthetic organic chemistry.

Basic Information

Product Name	3-Thioxoglutaric Acid Diethyl Ester
CAS No.	18457-67-5
Molecular Formula	C9H14O4S
Molecular Weight	218.27 g/mol
Synonyms	Diethyl 3-Thioxoglutarate; Diethyl 3-Oxopentanedithioate; 3-Thioxopentanedioic Acid Diethyl Ester; Glutaric Acid, 3-Thioxo-, Diethyl Ester; Diethyl 3-Mercapto-3-oxopropanepropanedioate; Ethyl 3-Thioxoglutarate; 3-Oxo-1,5-pentanedioic Acid Diethyl Ester Thioanalogue
EINECS	Contact for details

Quality Control

Our 3-Thioxoglutaric Acid Diethyl Ester is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing including HPLC for purity and identity confirmation by IR and NMR spectroscopy to ensure consistency and reliability for your synthetic processes. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to the thiocarbonyl group, prolonged exposure to air and moisture should be minimized. Store separately from strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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