Description

3-Oxothiobutyric Acid S-Isopropyl Ester is a versatile sulfur-containing ester with a reactive β-ketothioester functional group. This compound is valued as a key synthetic intermediate and building block in advanced organic synthesis, particularly for the construction of heterocycles and complex molecular architectures. It is primarily utilized by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors for developing active ingredients and novel materials.

Application

• Pharmaceutical Intermediate: A crucial building block for the synthesis of thiazole, pyrimidine, and other nitrogen-sulfur heterocycles found in active pharmaceutical ingredients (APIs).
• Agrochemical Synthesis: Used in the production of herbicides, fungicides, and insecticides that require specific sulfur-containing motifs for bioactivity.
• Chemical Research & Development: Serves as a versatile reagent in academic and industrial R&D for exploring new reaction pathways and creating novel chemical entities.
• Material Science: Potential precursor in the development of specialty polymers, ligands for catalysis, and advanced organic electronic materials.
• Flavor & Fragrance Industry: May be employed as an intermediate in the synthesis of certain sulfur-containing aroma compounds, subject to purity and regulatory compliance.

Basic Information

Product Name	3-Oxothiobutyric Acid S-Isopropyl Ester
CAS No.	15780-62-8
Molecular Formula	C7H12O2S
Molecular Weight	160.23 g/mol
Synonyms	S-Isopropyl 3-Oxobutanethioate; S-Isopropyl 3-Oxothiobutyrate; 3-Oxobutanethioic Acid S-Isopropyl Ester; Acetoacetic Acid S-Isopropyl Thioester; Isopropyl 3-Oxobutanethioate; Thioacetoacetic Acid S-Isopropyl Ester; 1-Methylethyl 3-Oxobutanethioate
EINECS	Contact for details

Quality Control

Our 3-Oxothiobutyric Acid S-Isopropyl Ester is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chromatographic purity analysis and identity confirmation, to ensure it meets the high standards required for synthetic applications. Certificates of Analysis (COA) detailing specific batch results are available upon request to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area. Recommended storage temperature is between 2°C and 8°C (refrigerated) for long-term stability, as the β-ketothioester group may be prone to degradation at elevated temperatures. Keep away from strong oxidizing agents and bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/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.