2904-57-6

Basic information

• Product Name: 2,4,6-TRIMETHYLBENZONITRILE N-OXIDE
• Synonyms: 2,4,6-Trimethylbenzonitrile oxide;Benzonitrile, 2,4,6-trimethyl-, N-oxide;Mesitonitrile oxide;2,4,6-TRIMETHYLBENZONITRILE N-OXIDE;MESITONITRILE N-OXIDE;TMBNO;TIMTEC-BB SBB008412;2,4,6-Trimethylbenzene-1-carbonitrile oxide
• CAS NO: 2904-57-6
• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.2
• Product Categories: Building Blocks;C10 to C27;Chemical Synthesis;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks
• Mol File: 2904-57-6.mol
• Article Data: 26

Chemical Properties

• Melting Point: 113-114℃ (methanol )
• Boiling Point: 287.51°C (rough estimate)
• Appearance: /
• Density: 0.98±0.1 g/cm3 (20 ºC 760 Torr)
• Refractive Index: 1.5200 (estimate)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2,4,6-TRIMETHYLBENZONITRILE N-OXIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-TRIMETHYLBENZONITRILE N-OXIDE(2904-57-6)
• EPA Substance Registry System: 2,4,6-TRIMETHYLBENZONITRILE N-OXIDE(2904-57-6)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36
• Safety Statements: 26-36/37
• Hazardous Substances Data: 2904-57-6(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 22, p. 1061, 1957 DOI: 10.1021/jo01360a017

InChI:InChI=1/C10H11NO/c1-7-4-8(2)10(6-11-12)9(3)5-7/h4-5H,1-3H3

Upstream product

• 54130-63-1 (E)-mesitaldehyde oxime 
• 576-83-0 2,4,6-trimethylphenyl bromide 
• 707-74-4 (trichloromethyl)mesitylene 
• 487-68-3 mesytaldehyde 
• 74903-81-4 2,4,6-trimethylbenzohydroxamoyl chloride 
• 2904-63-4 2,4,6-trimethylbenzohydroximoyl chloride 
• 40188-34-9 2,4,6-trimethylbenzaldehyde oxime 
• 2571-52-0 cyanomesitylene 

Downstream Products

• 19520-61-7 O-Acetyl-mesityl-carbohydroxamsaeure 
• 59240-63-0 1',5'-diphenyl-3,4',3''-tris-(2,4,6-trimethyl-phenyl)-dispiro[[1,4,2]dioxazole-5,6'-(2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene)-7',5''-[1,4,2]dioxazole] 
• 59500-92-4 2,3-diphenyl-7-(2,4,6-trimethyl-phenyl)-5,8-dioxa-6-aza-spiro[3.4]octa-2,6-dien-1-one 
• 127840-00-0 3,8-dimesityl-r-10a,c-11a-dimethyl-6,10a,11,11a-tetrahydro-5H-bis<1,2,4>oxadiazolo<4,5-d:5',4'-g><1,4>diazepine 
• 6095-81-4 N,N'-di(2,4,6-trimethylphenyl)urea 
• 77965-74-3 3-(2,4,6-Trimethyl-phenyl)-3a,6a-dihydro-thieno[2,3-d]isoxazole 4,4-dioxide 
• 77965-76-5 3,5-Bis-(2,4,6-trimethyl-phenyl)-3a,4a,7a,7b-tetrahydro-thieno[2,3-d;5,4-d']diisoxazole 4,4-dioxide 
• 77965-74-3 4,4-Dioxo-3-(2,4,6-trimethylphenyl)-3a,6a-dihydrothieno<2,3-d>isoxazoline 
• 125402-95-1 3-mesitylbenzo-as-triazine tri-N-oxide 
• 132922-10-2 (3bS,6aS,6bR,9aR)-6,9-Bis-(2,4,6-trimethyl-phenyl)-3b,6a,6b,9a-tetrahydro-2,4,7-trioxa-1,3,5,8-tetraaza-trindene 3-oxide 
• 132922-19-1 (3bR,6aR,6bR,9aR)-4,9-Bis-(2,4,6-trimethyl-phenyl)-3b,6a,6b,9a-tetrahydro-2,6,7-trioxa-1,3,5,8-tetraaza-trindene 1-oxide 
• 130872-90-1 C₂₃H₂₆N₂O₂ 
• 6095-82-5 2,4,6-trimethylphenyl isothiocyanate 
• 66425-05-6 2,7-dimethyl-2,6-dihydro-[1,2,4]triazepine-3,5-dione 

Relevant articles and documents

Thermodynamic Properties of Organic Compounds. 3. Sublimation Enthalpy and Heat Capacities of 2,4,6-Trimethylbenzonitrile N-Oxide

Experimental heat capacities (6-319 K) and enthalpy of sublimation, ΔsubH deg m(313.5K) = 87.52 +/- 0.53 kJ mol-1, are reported for 2,4,6-trimethylbenzonitrile N-oxide.Heat capacity data show a reversible solid-phase trans

Arylation of nitromethane with sterically hindered aryl halides

Efficient conditions for Pd-catalyzed cross-coupling of sterically hindered aryl halides with nitromethane were developed to give corresponding aryl nitromethanes. The opportunity to carry out the reaction of polynitromethylation under these conditions wa

Palladium-Catalyzed (3+3) Annulation of Allenylethylene Carbonates with Nitrile Oxides

In this paper, we designed and synthesized a new type of cyclic carbonates, allenylethylene carbonates (AECs). With AECs as reactive precursors, we developed palladium-catalyzed (3+3) annulation of AECs with nitrile oxides. Various AECs worked well in this reaction under mild reaction conditions. A variety of 5,6-dihydro-1,4,2-dioxazine derivatives with allenyl quaternary stereocenters can be accessed in a facile manner in high yields (≤98%).