Description

Methyl 2-[(Cyanomethyl)Thio]Benzoate is a specialized organic sulfur compound featuring both ester and nitrile functional groups, making it a versatile intermediate for advanced chemical synthesis. Its molecular structure is critical for constructing complex molecules, particularly in the development of active pharmaceutical ingredients and high-performance agrochemicals. This compound is essential for R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries seeking to introduce specific thioether and ester linkages into target molecules.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those requiring a benzothiophene or related heterocyclic core structure.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides where the cyanomethylthio moiety contributes to biological activity.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands used in transition metal catalysis and asymmetric synthesis.
• Material Science Research: Employed in the development of organic electronic materials and polymers due to its electron-withdrawing and sulfur-containing groups.
• Custom Chemical Synthesis: A valuable starting material for contract research organizations (CROs) and fine chemical manufacturers producing bespoke compounds for clients.

Basic Information

Product Name	Methyl 2-[(Cyanomethyl)Thio]Benzoate
CAS No.	57601-89-5
Molecular Formula	C10H9NO2S
Molecular Weight	207.25 g/mol
Synonyms	Methyl 2-(Cyanomethylthio)benzoate; Benzoic acid, 2-[(cyanomethyl)thio]-, methyl ester; 2-[(Cyanomethyl)thio]benzoic acid methyl ester; Methyl o-[(cyanomethyl)thio]benzoate; Methyl 2-(cyanomethylsulfanyl)benzoate; 57601-89-5; Methyl (2-((cyanomethyl)thio)phenyl)formate
EINECS	Contact for details

Quality Control

Every batch of Methyl 2-[(Cyanomethyl)Thio]Benzoate is manufactured and tested under a strict quality management system. Our products undergo rigorous quality testing, including chromatographic purity analysis and identity confirmation, to ensure compliance with industry standards and customer specifications. Certificates of Analysis (COA) detailing batch-specific results are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at controlled room temperature (15-25°C). Keep away from strong oxidizing agents, strong bases, and sources of ignition.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

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