Description

2,4,6-Trimethylbenzonitrile n-Oxide CAS NO 2904-57-6 is a specialized nitrile oxide derivative, a key reactive intermediate in synthetic organic chemistry. Its primary value lies in its role as a versatile 1,3-dipole for cycloaddition reactions, enabling the efficient construction of complex heterocyclic scaffolds. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors developing novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of isoxazoline and isoxazole rings, which are privileged structures in drug discovery for various therapeutic areas.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides through cycloaddition chemistry to create bioactive heterocycles.
• Material Science Research: Serves as a precursor for creating functionalized polymers and advanced organic materials via click chemistry methodologies.
• Academic & R&D: A valuable reagent for methodological studies in organic synthesis, particularly in [3+2] cycloaddition reactions and dipolar chemistry.
• Ligand and Catalyst Development: Employed in the synthesis of chiral isoxazoline ligands used in asymmetric catalysis.

Basic Information

Product Name	2,4,6-Trimethylbenzonitrile n-Oxide
CAS No.	2904-57-6
Molecular Formula	C10H11NO
Molecular Weight	161.20 g/mol
Synonyms	2,4,6-Trimethylbenzonitrile N-oxide; 2,4,6-Trimethylbenzonitrile oxide; Mesitonitrile oxide; 2,4,6-Trimethylphenyl nitrile oxide; Benzonitrile, 2,4,6-trimethyl-, N-oxide; (2,4,6-Trimethylphenyl)nitrile oxide
EINECS	220-826-7

Quality Control

Our 2,4,6-Trimethylbenzonitrile n-Oxide is manufactured under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure consistency and reliability for sensitive synthetic applications. Certificates of Analysis (COA) detailing batch-specific results are provided to guarantee traceability and compliance with your research or production standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Due to its nature as a reactive nitrile oxide, it should be kept under an inert atmosphere if in solution and separated from incompatible materials.

Specification

Item	Specification
Appearance	Off-white to pale yellow crystalline solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Residual Solvents (GC)	Meets ICH guidelines

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