2-tert-Butyl-3-(4-nitrophenyl)oxaziridine

Base Information

• Chemical Name: 2-tert-Butyl-3-(4-nitrophenyl)oxaziridine
• CAS No.: 26378-36-9
• Molecular Formula: C₁₁H₁₄N₂O₃
• Molecular Weight: 222.244
• DSSTox Substance ID: DTXSID60444749
• Nikkaji Number: J915.685B
• Mol file: 26378-36-9.mol

Synonyms:26378-36-9;2-tert-Butyl-3-(4-nitrophenyl)oxaziridine;DTXSID60444749;2-tert-butyl-3-(4-nitrophenyl)-[1,2]oxaziridine

Chemical Property of 2-tert-Butyl-3-(4-nitrophenyl)oxaziridine

Chemical Property:

• Melting Point: 64-65 °C
• Boiling Point: 306.7±52.0 °C(Predicted)
• PKA: 0.73±0.40(Predicted)
• PSA: 61.36000
• Density: 1.251±0.06 g/cm3(Predicted)
• LogP: 3.10020
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-tert-Butyl-3-(4-nitrophenyl)oxaziridine

There total 13 articles about 2-tert-Butyl-3-(4-nitrophenyl)oxaziridine 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: 96.0%

(p-nitrobenzylidene)(tert-butyl)amine (718-36-5) → 2-tert-butyl-3-(4-nitrophenyl)-1,2-oxaziridine (26378-36-9,39245-61-9,39245-62-0,59905-68-9)

Guidance literature:

With urea hydrogen peroxide adduct; methyltrioxorhenium(VII); In various solvent(s); at 50 ℃; for 3h;

DOI:10.1016/j.jorganchem.2007.03.004

Reference yield: 94.0%

4-nitrobenzaldehdye (555-16-8) + tert-butylamine (75-64-9) → (3S)-trans-2-tert-butyl-3-(4-nitro-phenyl)-oxaziridine (26378-36-9,39245-61-9,39245-62-0,59905-68-9)

Guidance literature:

With dihydrogen peroxide; carbonic acid dimethyl ester; In water; at 20 ℃; for 15h; Green chemistry;

DOI:10.1039/c6gc03589b

Reference yield: 87.0%

(E)-2-methyl-N-(4-nitrophenylmethylene)propan-2-amine (59862-75-8) → 2-tert-butyl-3-(4-nitrophenyl)-1,2-oxaziridine (26378-36-9,39245-61-9,39245-62-0,59905-68-9)

Guidance literature:

With dihydrogen peroxide; sodium hydrogencarbonate; benzonitrile; In methanol; at 20 ℃; for 48h;

DOI:10.1081/SCC-100000208

upstream raw materials:

(p-nitrobenzylidene)(tert-butyl)amine

(Z)-N-tert-butyl-1-(4-nitrophenyl)methanimine oxide

(E)-2-methyl-N-(4-nitrophenylmethylene)propan-2-amine

4-nitrobenzaldehdye

Downstream raw materials:

N-tert-butyl-4-nitrobenzamide

C₃₅H₄₇NO₄

2,6-Di-tert-butyl-4-[hydroxy-(4-nitro-phenyl)-methyl]-phenol

(p-nitrobenzylidene)(tert-butyl)amine

Refernces

• 1、 Kra?em, Jamil,Ollevier, Thierry. "Atom economical synthesis of: N -alkylbenzamides via the iron(III) sulfate catalyzed rearrangement of 2-alkyl-3-aryloxaziridines in water and in the presence of a surfactant". supporting information. p. 1263 - 1267. Retrieved 2017/08/15.
• 2、 Husmann, Ralph,Wertz, Sebastian,Daniliuc, Constantin G.,Schaefer, Sascha W.,McArdle, Ciaran B.,Studer, Armido. "UV-vis monitoring of radical polymerizations by spin trapping with chromophoric nitrones". . p. 993 - 1000. Retrieved 2014/03/21.