Description

β-Oxo-α-[3-(Trifluoromethyl)Phenyl]Benzenebutyronitrile is a specialized organic intermediate featuring a trifluoromethylphenyl group and a β-oxo nitrile moiety, which are key structural motifs in advanced chemical synthesis. This compound is valued for its role as a versatile building block in the creation of complex molecules, particularly in the pharmaceutical and agrochemical sectors. It is primarily sought after by research and development chemists and process engineers in fine chemical manufacturing for the synthesis of active ingredients and novel materials.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders or possessing anti-inflammatory properties.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and stability.
• Liquid Crystal & OLED Material Research: Serves as a building block for developing novel organic electronic materials and liquid crystal compounds due to its aromatic and polarizable structure.
• Organic Synthesis & Catalysis: Employed in academic and industrial research for constructing complex molecular architectures via reactions involving the ketone and nitrile functional groups.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific projects requiring high-purity, complex intermediates.

Basic Information

Product Name	β-Oxo-α-[3-(Trifluoromethyl)Phenyl]Benzenebutyronitrile
CAS No.	68084-26-4
Molecular Formula	C17H12F3NO
Molecular Weight	303.28 g/mol
Synonyms	3-Oxo-4-[3-(trifluoromethyl)phenyl]-2-phenylbutanenitrile; 4-(3-Trifluoromethylphenyl)-3-oxo-2-phenylbutyronitrile; 2-Phenyl-4-[3-(trifluoromethyl)phenyl]-3-oxobutyronitrile; α-Benzoyl-β-[3-(trifluoromethyl)phenyl]propionitrile; 3-Oxo-2-phenyl-4-[3-(trifluoromethyl)phenyl]butanenitrile; β-Oxo-α-(3-trifluoromethylphenyl)benzenebutyronitrile; α-(3-Trifluoromethylbenzyl)benzoylacetonitrile
EINECS	Contact for details

Quality Control

Our β-Oxo-α-[3-(Trifluoromethyl)Phenyl]Benzenebutyronitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment supports compliance with cGMP and ICH guidelines for pharmaceutical intermediates.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed in a dry environment to prevent degradation. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Related Substances (HPLC)	Total impurities ≤ 2.0% Any single impurity ≤ 0.5%

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