2,4,6-TRIMETHYLBENZONITRILE N-OXIDE

Base Information

• Chemical Name: 2,4,6-TRIMETHYLBENZONITRILE N-OXIDE
• CAS No.: 2904-57-6
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Mol file: 2904-57-6.mol

Synonyms:2,4,6-TrimethylbenzonitrileN-oxide;2,4,6-Trimethylbenzonitrile oxide;Mesitonitrile N-oxide;Mesitonitrile oxide;Mesitylenenitrile oxide;Mesitylnitrile oxide;NSC 82069;

Chemical Property of 2,4,6-TRIMETHYLBENZONITRILE N-OXIDE

Chemical Property:

• Melting Point: 113-114℃ (methanol )
• Refractive Index: 1.513
• Boiling Point: 287.51°C (rough estimate)
• PSA: 30.67000
• Density: 0.98 g/cm³
• LogP: 2.51698
• Storage Temp.: 2-8°C

Purity/Quality:

99.5% ^*data from raw suppliers

MesitonitrileN-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4,6-TRIMETHYLBENZONITRILE N-OXIDE

There total 12 articles about 2,4,6-TRIMETHYLBENZONITRILE N-OXIDE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

2,4,6-trimethylbenzaldehyde oxime (40188-34-9) → mesitylenecarbonitrile oxide (2904-57-6)

Guidance literature:

With N-chlorobenzotriazole; In dichloromethane; for 0.0833333h; Ambient temperature;

Reference yield: 99.0%

(E)-mesitaldehyde oxime (54130-63-1) → mesitylenecarbonitrile oxide (2904-57-6)

Guidance literature:

With N-chloro-succinimide; triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/S0040-4039(03)00614-2

Reference yield: 95.0%

2,4,6-trimethylbenzohydroximoyl chloride (2904-63-4) → mesitylenecarbonitrile oxide (2904-57-6)

Guidance literature:

With triethylamine; In diethyl ether;

DOI:10.1021/jo01307a039

upstream raw materials:

(E)-mesitaldehyde oxime

cyanomesitylene

2,4,6-trimethylbenzaldehyde oxime

2,4,6-trimethylbenzohydroximoyl chloride

Downstream raw materials:

O-Acetyl-mesityl-carbohydroxamsaeure

Mesitylvinylketoxim

3-(2,4,6-trimethyl-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid methyl ester

3-(2,4,6-trimethyl-phenyl)-4,5-dihydro-isoxazole-4-carboxylic acid methyl ester

Refernces

• 1、 Carosso, Serena,Memeo, Misal Giuseppe,Bovio, Bruna,Valletta, Elena,Macchi, Beatrice,Quadrelli, Paolo. "N,O-Nucleosides from Ene Reaction of (Nitrosocarbonyl)mesitylene with Crotyl Alcohol: Selectivity, Scope, and Limitations". . p. 1972 - 1982. Retrieved 2017.
• 2、 Ageshina, A. A.,Asachenko, A. F.,Lysenko, A. N.,Minaeva, L. I.,Nechaev, M. S.,Rasskazova, M. A.,Rzhevskiy, S. A.,Topchiy, M. A.. "Arylation of nitromethane with sterically hindered aryl halides". . p. 59 - 63. Retrieved 2022/02/25.
• 3、 Zhao, Guodong,Liang, Lixin,Wen, Chi Ho Ethan,Tong, Rongbiao. "In Situ Generation of Nitrile Oxides from NaCl-Oxone Oxidation of Various Aldoximes and Their 1,3-Dipolar Cycloaddition". . p. 315 - 319. Retrieved 2019/01/08.