124761-60-0

Basic information

• Product Name: 4-methoxy-2,5,5-trimethyl-4-phenyl-2-imidazoline 3-oxide 1-oxyl
• CAS NO: 124761-60-0
• Molecular Weight: 249.29
• Mol File: 124761-60-0.mol

Chemical Properties

• CAS DataBase Reference: 4-methoxy-2,5,5-trimethyl-4-phenyl-2-imidazoline 3-oxide 1-oxyl(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methoxy-2,5,5-trimethyl-4-phenyl-2-imidazoline 3-oxide 1-oxyl(124761-60-0)
• EPA Substance Registry System: 4-methoxy-2,5,5-trimethyl-4-phenyl-2-imidazoline 3-oxide 1-oxyl(124761-60-0)

Safety Data

• Hazardous Substances Data: 124761-60-0(Hazardous Substances Data)

Upstream product

• 104868-53-3 C₁₂H₁₅N₂O₂ 
• 67-56-1 methanol 
• 38870-51-8 1-hydroxy-2,5,5-trimethyl-4-phenyl-3-imidazoline 3-oxide 
• 38870-68-7 2,4,4-trimethyl-5-phenyl-4H-imidazole 1,3-dioxide 

Relevant articles and documents

ESR and 1H NMR Studies of a New Class of Nitroxyl, Nitronylnitroxyl and Iminonitroxyl Radicals

A new synthesis of nitronylnitroxyl (NNR), iminonitroxyl (INR) and nitroxyl radicals (NR) is suggested, involving oxidation of 4H-imidazol di-N-oxides with O2 or PbO2 in the presence of nucleophilic reagents.This method allowed the preparation of radicals which could not be synthesized by known procedures.These radicals were studied by ESR and 1H NMR spectroscopy.The hyperfine interaction constants of the NNR were measured and assigned (in some cases radicals containing 15N were used).The influence of protonation and deprotonation of functional groups (OH, NH2) in the NNR on their ESR spectra was investigated and the pK values of these radicals were measured by ESR.Differences between the ESR spectra of two isomeric INR were found, and the structures of these radicals were established by 1H NMR.Changes in spin density delocalization in 3-imidazoline 3-oxide nitroxyl radicals were studied, and the spin density was found to be 'pushed out' to the peripheral fragments of these radicals on increasing the number of methoxy groups in the α-position to the N-O. fragment.Hindered rotation around the ?-bond of a bulky substituent in the α-position to the N-O. fragment was detected by ESR.The activation energy of this hindered rotation was ΔE=30+/-1.7 kJ mol-1.

ROUTE THE STABLE NITROXIDES WITH ALKOXY GROUPS AT α-CARBON-THE DERIVTIVES OF 2- AND 3-IMIDAZOLINES

Oxidation of 1-hydroxy-5,5-dimethyl-3-imidazoline-3-oxides containing one or two hydrogen atoms in position 2 of the heterocycle with lead dioxide in alcohol leads to stable nitroxides with alkoxy groups at α-carbon, the derivatives of 2- and 3-imidazolines, via the intermediate formation of 4H-imidazol-1,3-dioxides.