Description

3-Oxo-3-[2-(Trifluoromethoxy)Phenyl]Propanenitrile, also known as 3-Oxo-3-[2-(Trifluoromethoxy)Phenyl]Propionitrile, is a high-value, fluorinated aromatic intermediate with significant utility in advanced organic synthesis. Its core value lies in the unique combination of the trifluoromethoxy group and the reactive β-ketonitrile moiety, which makes it a versatile building block for constructing complex molecules. This compound is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of new active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, due to the metabolic stability imparted by the trifluoromethoxy group.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, where the fluorine atoms enhance biological activity and environmental persistence.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized ligands and organocatalysts used in asymmetric synthesis and cross-coupling reactions.
• Material Science Research: Employed in the development of advanced polymers and liquid crystals, where the aromatic and fluorinated components can modify thermal and optical properties.
• Custom Synthesis and Contract Manufacturing: A critical building block for custom synthesis houses serving the life sciences sector, enabling the production of bespoke compounds for client pipelines.

Basic Information

Product Name	3-Oxo-3-[2-(Trifluoromethoxy)Phenyl]Propanenitrile / 3-Oxo-3-[2-(Trifluoromethoxy)Phenyl]Propionitrile
CAS No.	914636-80-9
Molecular Formula	C10H6F3NO2
Molecular Weight	229.16 g/mol
Synonyms	2-(Trifluoromethoxy)benzoylacetonitrile; 3-Oxo-3-(2-trifluoromethoxyphenyl)propionitrile; 2-(Trifluoromethoxy)phenacyl cyanide; 3-(2-(Trifluoromethoxy)phenyl)-3-oxopropanenitrile; β-Oxo-2-(trifluoromethoxy)benzenepropanenitrile; 1-Cyano-2-[2-(trifluoromethoxy)phenyl]ethanone; 914636-80-9; CAS 914636-80-9
EINECS	Contact for details

Quality Control

Our 3-Oxo-3-[2-(Trifluoromethoxy)Phenyl]Propanenitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high purity and batch-to-batch consistency suitable for research and scale-up activities. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment.

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). Keep away from heat, sparks, and open flame. This material is light-sensitive (store away from light).

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%
Single Maximum Impurity (HPLC)	≤ 1.0%

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