Description

3-Oxobutanethioic Acid S-Butyl Ester is a versatile sulfur-containing β-keto ester derivative, serving as a critical building block in advanced organic synthesis. Its unique structure, featuring both a ketone and a thioester functional group, makes it a valuable precursor for constructing complex heterocycles and fine chemicals. This compound is essential for research and development chemists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to introduce specific molecular frameworks.

Application

• Pharmaceutical Intermediate: Key synthon for the production of heterocyclic compounds, including thiophenes and pyrazoles, with potential biological activity.
• Agrochemical Synthesis: Used in the manufacture of active ingredients for crop protection agents, leveraging its reactivity to form sulfur-containing motifs.
• Ligand and Catalyst Precursor: Serves as a starting material for the synthesis of specialized ligands used in metal-catalyzed cross-coupling reactions.
• Fine Chemical Production: Employed in the multi-step synthesis of flavors, fragrances, and other high-value specialty chemicals.
• Material Science Research: Investigated as a monomer or modifying agent in the development of novel polymers with specific properties.
• Academic & Industrial R&D: A valuable reagent for methodological development and exploring new synthetic pathways in organic chemistry.

Basic Information

Product Name	3-Oxobutanethioic Acid S-Butyl Ester
CAS No.	15780-63-9
Molecular Formula	C8H14O2S
Molecular Weight	174.26 g/mol
Synonyms	Acetoacetic Acid S-Butyl Ester; S-Butyl 3-Oxobutanethioate; Butyl 3-Oxobutanethioate; 3-Oxobutanoic Acid S-Butyl Ester; Butyl Acetoacetate Thioester; Thioacetoacetic Acid Butyl Ester; Butyl Mercaptoacetate Ketone; 1-Butanethiol, 3-Oxobutanoate
EINECS	Contact for details

Quality Control

Our 3-Oxobutanethioic Acid S-Butyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chromatography (HPLC/GC) and spectroscopic methods (IR, NMR), to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications 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, well-ventilated area at room temperature (15-25°C). Keep away from strong oxidizing agents, strong bases, and sources of ignition. For long-term storage, consider an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Refractive Index (n20D)	1.470 - 1.480
Density (g/mL, 20°C)	1.02 - 1.06

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