Description

Thiocarbonic Acid o-tert-Butyl Ester S-(3-Formyl-Phenyl) Ester is a specialized organosulfur compound featuring a unique combination of a tert-butyl carbonate group and a formylphenyl thioester moiety. This structure makes it a valuable intermediate for synthesizing complex molecules, particularly in pharmaceutical and agrochemical research where the introduction of protected carbonyl and sulfur functionalities is required. It is essential for chemists and R&D teams developing active ingredients, ligands, and advanced materials.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those targeting sulfur-dependent biological pathways.
• Agrochemical Synthesis: Used in the research and development of new pesticides, herbicides, and fungicides where the thioester group is integral to bioactivity.
• Chemical Research & Development: Serves as a versatile reagent for introducing protected thiocarbonate and aldehyde functionalities in complex organic syntheses.
• Material Science Precursor: Potential use in creating specialized polymers or ligands for catalysis and material coatings.
• Cross-coupling Reactions: Acts as a substrate or intermediate in palladium-catalyzed and other metal-mediated coupling reactions to form carbon-sulfur bonds.

Basic Information

Product Name	Thiocarbonic Acid o-tert-Butyl Ester S-(3-Formyl-Phenyl) Ester
CAS No.	396725-72-7
Molecular Formula	C12H14O3S
Molecular Weight	238.30 g/mol
Synonyms	S-(3-Formylphenyl) O-tert-butyl carbonothioate; tert-Butyl (3-formylphenyl)thionocarbonate; 3-[(tert-Butoxycarbonothioyl)oxy]benzaldehyde; Carbonothioic acid, O-(1,1-dimethylethyl) S-(3-formylphenyl) ester; Thiocarbonic acid O-tert-butyl ester S-(3-formylphenyl) ester; Benzaldehyde, 3-[[(1,1-dimethylethoxy)thioxomethyl]thio]-
EINECS	Contact for details

Quality Control

Our production of Thiocarbonic Acid o-tert-Butyl Ester S-(3-Formyl-Phenyl) Ester adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and industrial use. Each lot is characterized using advanced analytical techniques including HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). This compound is easily oxidized; for long-term storage, consider maintaining under an inert atmosphere such as nitrogen or argon to preserve stability and prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (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.