N-Methylphenylnitrone

Base Information

• Chemical Name: N-Methylphenylnitrone
• CAS No.: 3376-23-6
• Molecular Formula: C8H9NO
• Molecular Weight: 135.166
• Hs Code.: 2925290090
• European Community (EC) Number: 810-477-4
• NSC Number: 255268
• ChEMBL ID: CHEMBL1642495
• Mol file: 3376-23-6.mol

Synonyms:N-methyl-C-phenylnitrone

Chemical Property of N-Methylphenylnitrone

Chemical Property:

• Vapor Pressure: 0.0351mmHg at 25°C
• Boiling Point: 250°Cat760mmHg
• Flash Point: 113.8°C
• PSA: 28.75000
• Density: 1.044g/cm³
• LogP: 1.76880
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](=CC1=CC=CC=C1)[O-]
• Isomeric SMILES: C/[N+](=C/C1=CC=CC=C1)/[O-]

Technology Process of N-Methylphenylnitrone

There total 50 articles about N-Methylphenylnitrone 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: 100.0%

N-methylhydroxyamine hydrochloride (4229-44-1) + benzaldehyde (100-52-7) → N-methyl-α-phenylnitrone (3376-23-6)

Guidance literature:

With benzophenone; Further Variations:; Reagents; Product distribution;

DOI:10.1007/s007060170011

Reference yield: 100.0%

N-benzyl-N-methylhydroxylamine (3555-72-4) → N-methyl-α-phenylnitrone (3376-23-6)

Guidance literature:

N-benzyl-N-methylhydroxylamine; With polytetrafluoroethylene; dmap; oxygen; 3,6-dichloro-1,2,4,5-tetrazine; for 0.0166667h;

regioselective reaction; Irradiation;

DOI:10.1055/a-1691-0449

Reference yield: 99.0%

N-methylhydroxyamine hydrochloride (4229-44-1) + benzaldehyde (100-52-7) → N-(benzylidene)methylamine N-oxide (3376-23-6,7372-59-0,59862-60-1)

Guidance literature:

In sodium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1055/s-2005-869992

upstream raw materials:

N-Methylhydroxylamine

benzaldehyde

syn-benzaldehyde oxime

dimethyl sulfate

Downstream raw materials:

N-methylbenzamide

2-methyl-3,4-diphenyl-[1,2,4]oxadiazolidin-5-one

N-Methylhydroxylamine

benzaldehyde

Refernces

• 1、 Lyu, Jiyuan,Le, Tuan,Claraz, Aurélie,Allain, Clémence,Audebert, Pierre,Masson, Géraldine. "S -Tetrazine: Robust and Green Photoorganocatalyst for Aerobic Oxidation of N,N-Disubstituted Hydroxylamines to Nitrones". supporting information. p. 177 - 181. Retrieved 2021/12/06.
• 2、 Correia, José Tiago M.,Matsuo, Bianca T.,Oliveira, Pedro H. R.,Paix?o, Márcio W.. "Carbamoylation of Azomethine Imines via Visible-Light Photoredox Catalysis". supporting information. p. 6775 - 6779. Retrieved 2021/09/13.