Phenyl-N-tert-butylnitrone, (E)-

Base Information

• Chemical Name: Phenyl-N-tert-butylnitrone, (E)-
• CAS No.: 85225-53-2
• Molecular Formula: C₁₁H₁₅NO
• Molecular Weight: 177.246
• European Community (EC) Number: 222-168-6
• UNII: UEW4MZ1486
• ChEMBL ID: CHEMBL1173477
• Mol file: 85225-53-2.mol

Synonyms:UEW4MZ1486;Phenyl-N-tert-butylnitrone, (E)-;UNII-UEW4MZ1486;3376-24-7;2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide, (E)-;(E)-tert-butyl(oxido)(phenylmethylidene)azanium;85225-53-2;2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide;SCHEMBL6260317;CHEMBL1173477;(e)-N-benzylidene-2-methylpropan-2-amine oxide;EN300-21037884

Chemical Property of Phenyl-N-tert-butylnitrone, (E)-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Uses -> Biochemical Research
• Canonical SMILES: CC(C)(C)[N+](=CC1=CC=CC=C1)[O-]
• Isomeric SMILES: CC(C)(C)/[N+](=C\C1=CC=CC=C1)/[O-]

Technology Process of Phenyl-N-tert-butylnitrone, (E)-

There total 11 articles about Phenyl-N-tert-butylnitrone, (E)- 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-tertbutylhydroxylamine hydrochloride (57497-39-9) + benzaldehyde (100-52-7) → (Z)-N-benzylidene-2-methylpropan-2-amine oxide (3376-24-7,52392-70-8,85225-53-2,68315-30-0)

Guidance literature:

With sodium hydrogencarbonate; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2008.03.091

Reference yield: 100.0%

N-tert-butylbenzylamine (3378-72-1) → (Z)-N-benzylidene-2-methylpropan-2-amine oxide (3376-24-7,52392-70-8,85225-53-2,68315-30-0)

Guidance literature:

With dihydrogen peroxide; PCWP; In chloroform; at 40 ℃; for 1h;

DOI:10.1016/S0040-4020(01)89443-6

Reference yield: 99.0%

2-tert-butyl-3-phenyloxaziridine (3585-81-7,7731-34-2,20378-51-2,63087-57-0,88376-32-3) → (Z)-N-benzylidene-2-methylpropan-2-amine oxide (3376-24-7,52392-70-8,85225-53-2,68315-30-0)

Guidance literature:

In toluene; Heating;

DOI:10.1016/j.tet.2007.10.044

upstream raw materials:

N-tert-Butylhydroxylamine

benzaldehyde

methyl N-(1,1-dimethylethyl)benzenecarboximidate N-oxide

C₇H₁₆NO₂⁽¹⁺⁾*CF₃O₃S^(1-)

Downstream raw materials:

N-benzylidene tert-butylamine

α-Methoxybenzyl-tert-butyl-nitroxyl-Radikal

methanol adduct of α-phenyl-N-t-butylnitrone

C₁₄H₂₂NO₂