Description

Thioacetylmalonic Acid Diethyl Ester is a versatile sulfur-containing organic building block, primarily valued for its role as a key intermediate in heterocyclic synthesis. Its unique structure, featuring both thioester and active methylene functionalities, makes it a critical reagent for constructing complex molecular architectures. This compound is essential for research and development chemists in the pharmaceutical and agrochemical industries, where it is used to synthesize novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of thiophene, pyridine, and other nitrogen/sulfur-containing heterocycles with potential biological activity.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides that require specific sulfur-based heterocyclic cores.
• Material Science Research: Serves as a monomer or building block for creating specialized polymers and organic electronic materials.
• Organic Synthesis Reagent: Employed in Knoevenagel condensations, Michael additions, and other C-C bond-forming reactions due to its active methylene group.
• Chemical Research & Development: A valuable tool for medicinal chemists and process chemists exploring new synthetic routes and molecular scaffolds.

Basic Information

Product Name	Thioacetylmalonic Acid Diethyl Ester
CAS No.	18457-90-4
Molecular Formula	C9H14O4S
Molecular Weight	218.27 g/mol
Synonyms	Diethyl 2-(Acetylthio)malonate; Acetylthio Malonic Acid Diethyl Ester; 2-(Acetylthio)malonic Acid Diethyl Ester; Diethyl Acetylthiomalonate; Malonic Acid, 2-(Acetylthio)-, Diethyl Ester; Acetylthiomalonic Acid Diethyl Ester; Thioacetyl Malonic Acid Diethyl Ester; ATDE
EINECS	242-334-8

Quality Control

Our Thioacetylmalonic Acid Diethyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. 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 place at room temperature (15-25°C). Keep away from strong bases and incompatible materials. For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

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

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