Description

2-Isocyano-3-(Benzylthio)Propionic Acid Methyl Ester is a specialized organic building block featuring both isocyano and benzylthio functional groups. This unique bifunctional structure makes it a valuable intermediate for synthesizing complex heterocyclic compounds and peptidomimetics in medicinal chemistry. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for lead optimization and the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel heterocyclic scaffolds and constrained peptides with potential therapeutic activity.
• Agrochemical Research: Used in the development of new active ingredients for crop protection, leveraging its sulfur-containing moiety.
• Chemical Biology Probe Synthesis: Serves as a precursor for creating isonitrile-based probes used in target identification and binding studies.
• Material Science: Potential monomer or cross-linking agent in the development of specialized polymers with unique properties.
• Academic & Contract Research: Essential reagent for methodological development in organic synthesis and catalysis research.

Basic Information

Item	Details
Product Name	2-Isocyano-3-(Benzylthio)Propionic Acid Methyl Ester
CAS No.	730964-75-7
Molecular Formula	C12H13NO2S
Molecular Weight	235.30 g/mol
Synonyms	Methyl 2-Isocyano-3-(phenylmethylthio)propanoate; Methyl 3-(Benzylthio)-2-isocyanopropionate; 3-(Benzylsulfanyl)-2-isocyanopropionic acid methyl ester; 2-Isocyano-3-(benzylsulfanyl)propanoic acid methyl ester; NSC 760463; Propanoic acid, 3-[(phenylmethyl)thio]-2-isocyano-, methyl ester
EINECS	Contact for details

Quality Control

Every batch of 2-Isocyano-3-(Benzylthio)Propionic Acid Methyl Ester is produced and tested under a strict quality management system. We provide comprehensive analytical data to ensure identity, purity, and consistency for your critical R&D and scale-up processes. A Certificate of Analysis (COA) detailing specifications such as assay (by HPLC/NMR), identity (by IR/MS), and impurity profile is available for each lot upon request.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at 2-8°C or as specified on the certificate of analysis. Due to its sensitivity, allow the sealed container to reach room temperature before opening to minimize moisture ingress and degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥95.0% (Area %)
Assay (NMR)	≥95.0%

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