Description

3-(Phenylthiomethyl)Benzoylacetonitrile is a versatile and high-purity organic intermediate characterized by its unique benzoylacetonitrile core functionalized with a phenylthiomethyl group. This compound matters for its role as a critical building block in the synthesis of complex molecules, offering a reactive nitrile and ketone moiety for further chemical transformations. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of potential drug candidates, particularly those targeting central nervous system (CNS) disorders or possessing anti-inflammatory properties.
• Agrochemical Synthesis: Building block for developing new herbicides, fungicides, or plant growth regulators with enhanced efficacy.
• Material Science Research: Used in the development of organic semiconductors, liquid crystals, or advanced polymers due to its conjugated system.
• Chemical Research & Development: Serves as a versatile scaffold for heterocyclic chemistry, enabling the construction of pyridines, pyrimidines, and other nitrogen-containing rings.
• Fine Chemical Production: Intermediate in the multi-step synthesis of dyes, pigments, and photographic chemicals.
• Ligand and Catalyst Development: Potential precursor for creating novel chelating ligands used in metal-catalyzed cross-coupling reactions.

Basic Information

Product Name	3-(Phenylthiomethyl)Benzoylacetonitrile
CAS No.	175203-10-8
Molecular Formula	C₁₆H₁₃NOS
Molecular Weight	267.35 g/mol
Synonyms	3-[(Phenylthio)methyl]benzoylacetonitrile; 3-(Phenylthiomethyl)benzoylacetonitrile; 2-Oxo-3-[(phenylthio)methyl]-3-phenylpropanenitrile; 3-Phenylthiomethylbenzoylacetonitrile; Benzeneacetonitrile, α-(phenylthiomethyl)-γ-oxo-; (3-Oxo-3-phenyl-2-[(phenylthio)methyl]propyl) cyanide; 2-(Phenylthiomethyl)-3-oxo-3-phenylpropanenitrile
EINECS	Contact for details

Quality Control

Our 3-(Phenylthiomethyl)Benzoylacetonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and process chemistry. A comprehensive Certificate of Analysis (COA) detailing purity, impurities, and physical characteristics is provided with each shipment to guarantee traceability and consistency.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). The compound may be light-sensitive and should be handled under an inert atmosphere for long-term storage to prevent potential degradation.

Specification

Item	Specification
Appearance	White to off-white 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.