Description

(S)-(-)-2-Isocyanato-4-(Methylthio)Butyric Acid Methyl Ester is a high-value chiral building block featuring both an isocyanate and a methylthio functional group on a butyric acid ester backbone. This compound is critical for the synthesis of complex, biologically active molecules where stereochemistry and specific side-chain functionalities are paramount. It is primarily sought after by pharmaceutical R&D and fine chemical manufacturers for applications in drug discovery and the production of advanced agrochemical intermediates.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the synthesis of protease inhibitors, enzyme modulators, and other active pharmaceutical ingredients (APIs) requiring a specific (S)-configuration.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and plant growth regulators that benefit from its unique sulfur-containing side chain.
• Peptide Mimetics & Conjugation: The reactive isocyanate group enables efficient coupling to amines, making it valuable for creating peptide analogs or for bioconjugation strategies in drug delivery systems.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of specialized polymers with tailored properties, such as those with controlled degradation or specific ligand attachment sites.
• Ligand & Catalyst Development: Employed in the preparation of chiral ligands for asymmetric catalysis or as a precursor for metal-organic frameworks (MOFs) in catalytic applications.

Basic Information

Product Name	(S)-(-)-2-Isocyanato-4-(Methylthio)Butyric Acid Methyl Ester
CAS No.	93778-88-2
Molecular Formula	C7H11NO3S
Molecular Weight	189.23 g/mol
Synonyms	Methyl (2S)-2-Isocyanato-4-(methylthio)butanoate; (S)-Methyl 2-Isocyanato-4-(methylthio)butyrate; L-2-Isocyanato-4-(methylthio)butyric Acid Methyl Ester; (S)-(-)-2-Isocyanato-4-(methylmercapto)butyric Acid Methyl Ester; Methyl (S)-2-Isocyanato-4-(methylsulfanyl)butanoate; (S)-Methyl 2-Isocyanato-4-(methylsulfanyl)butanoate; NSC 339063
EINECS	Contact for details

Quality Control

Our production of (S)-(-)-2-Isocyanato-4-(Methylthio)Butyric Acid Methyl Ester adheres to stringent in-process controls to ensure batch-to-batch consistency and high chiral purity. Every lot is fully characterized using advanced analytical techniques including HPLC, GC, and NMR to confirm identity, purity, and enantiomeric excess (ee). A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at temperatures between 2°C and 8°C (refrigerated) for optimal stability. Due to its hygroscopic and moisture-sensitive nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent hydrolysis of the isocyanate group.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 0.5%

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