Description

Methyl 4-Thiocyanatobutanoate is a versatile sulfur-containing ester building block of significant interest in advanced organic synthesis. Its unique structure, featuring both a thiocyanate group and an ester moiety, makes it a valuable precursor for constructing complex molecules. This compound is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for applications in medicinal chemistry and crop protection agent development.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of novel drug candidates, particularly those targeting neurological and metabolic disorders.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging the bioactivity of the thiocyanate functional group.
• Chemical Biology Probe Development: Serves as a building block for creating activity-based probes to study enzyme function and mechanism.
• Polymer Modification: Acts as a functional monomer or cross-linking agent to introduce sulfur-containing groups into polymer backbones, altering material properties.
• Ligand Synthesis for Catalysis: Utilized in the preparation of specialized ligands for transition metal catalysis, enabling novel synthetic transformations.
• Flavor and Fragrance Chemistry: Employed as an intermediate in the synthesis of complex sulfur-containing aroma compounds.

Basic Information

Product Name	Methyl 4-Thiocyanatobutanoate
CAS No.	79203-77-3
Molecular Formula	C6H9NO2S
Molecular Weight	159.21 g/mol
Synonyms	Methyl 4-Thiocyanatobutyrate; 4-Thiocyanatobutanoic Acid Methyl Ester; Butanoic acid, 4-thiocyanato-, methyl ester; NSC 339063; Methyl 4-isothiocyanatobutanoate (tautomer); 4-(Thiocyanato)butyric acid methyl ester; Methyl γ-thiocyanatobutyrate
EINECS	Contact for details

Quality Control

Our Methyl 4-Thiocyanatobutanoate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing including HPLC, GC, and NMR to ensure identity, purity, and consistency. Certificates of Analysis (COA) with detailed chromatographic data are provided for every shipment, supporting your R&D and scale-up activities with reliable and traceable material.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This material is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere for prolonged operations to prevent degradation.

Specification

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