N,N-Diethylbenzenamine N-oxide

Base Information

• Chemical Name: N,N-Diethylbenzenamine N-oxide
• CAS No.: 826-42-6
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• DSSTox Substance ID: DTXSID201002811
• Nikkaji Number: J1.499.691E
• Wikidata: Q82997098
• Mol file: 826-42-6.mol

Synonyms:N,N-Diethylbenzenamine N-oxide;Benzenamine, N,N-diethyl-, N-oxide;826-42-6;N,N-Diethylaniline N-oxide;N,N-diethylaniline-N-oxide;SCHEMBL6908065;DTXSID201002811

Chemical Property of N,N-Diethylbenzenamine N-oxide

Chemical Property:

• Melting Point: 134-136 °C (decomp)
• PSA: 29.43000
• LogP: 2.56630
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](CC)(C1=CC=CC=C1)[O-]

Technology Process of N,N-Diethylbenzenamine N-oxide

There total 7 articles about N,N-Diethylbenzenamine N-oxide 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: 98.0%

N,N-diethylaniline (91-66-7) → 4-pyridine carboxamide 1-oxide (38557-82-3) + N,N-diethylaniline N-oxide (826-42-6)

Guidance literature:

With phthalic anhydride; urea-hydrogen peroxide; In dichloromethane; for 1h; Ambient temperature;

Reference yield: 95.0%

N,N-diethylaniline (91-66-7) → N,N-diethylaniline N-oxide (826-42-6)

Guidance literature:

With titanium silicate; dihydrogen peroxide; In methanol; at 60 ℃; for 7h;

Reference yield: 89.0%

diethyl-pyridin-4-yl-amine (28405-79-0) → N,N-diethylaniline N-oxide (826-42-6)

Guidance literature:

With dihydrogen peroxide; In water; at 20 ℃; for 5.5h;

DOI:10.1016/S1872-2067(10)60127-1

upstream raw materials:

N,N-diethylaniline

water

diethyl-pyridin-4-yl-amine

Downstream raw materials:

N,N-diethylaniline

o-diethylaminobenzenesulfonic acid

N,N-diethylsulfanilic acid

N,N-diethylaminophenol