Description

3-(3,3-Bis-Methylsulfanyl-Acryloyl)-Benzonitrile is a specialized organic intermediate featuring a unique α,β-unsaturated ketone core flanked by methylsulfanyl groups. This compound matters for its role as a versatile building block in advanced organic synthesis, enabling the construction of complex molecular architectures. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting specific enzyme inhibitors or receptor modulators.
• Agrochemical Synthesis: Used in the research and development of new pesticides, herbicides, and fungicides due to its reactive acryloyl moiety.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of specialty polymers with tailored properties.
• Chemical Biology Probes: Employed in the creation of molecular probes for studying biological pathways and protein interactions.
• Organic Synthesis Building Block: Utilized in multi-step synthetic routes for constructing complex heterocycles and functionalized aromatic systems.
• Ligand and Catalyst Development: Acts as a starting material for synthesizing novel ligands used in catalytic processes.

Basic Information

Product Name	3-(3,3-Bis-Methylsulfanyl-Acryloyl)-Benzonitrile
CAS No.	838871-76-4
Molecular Formula	C₁₃H₁₃NO₂S₂
Molecular Weight	279.38 g/mol
Synonyms	3-(3,3-Bis(methylthio)acryloyl)benzonitrile; 3-[3,3-Bis(methylsulfanyl)prop-2-enoyl]benzonitrile; 3-(3,3-Bis(methylmercapto)acryloyl)benzonitrile; 3-Cyano-α,β-bis(methylthio)cinnamophenone; 838871-76-4; 3-(3,3-Dimercaptoacryloyl)benzonitrile (bis-methyl thioether); α,β-Bis(methylthio)-3-cyanocinnamoyl compound
EINECS	Contact for details

Quality Control

Our 3-(3,3-Bis-Methylsulfanyl-Acryloyl)-Benzonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high purity and consistent performance. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available for every lot to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This compound is likely light-sensitive and should be handled under an inert atmosphere for prolonged stability, especially after opening the primary container.

Specification

Item	Specification
Appearance	Off-white to pale yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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