N,N-dimethylaniline N-oxide

Base Information

• Chemical Name: N,N-dimethylaniline N-oxide
• CAS No.: 874-52-2
• Molecular Formula: C8H11 N O
• Molecular Weight: 137.181
• Hs Code.: 2921420090
• European Community (EC) Number: 212-863-2
• UNII: N3Q9LN57GP
• DSSTox Substance ID: DTXSID60236323
• Nikkaji Number: J195.157B
• Wikidata: Q27102568
• Metabolomics Workbench ID: 37813
• Mol file: 874-52-2.mol

Synonyms:Aniline,N,N-dimethyl-, N-oxide (6CI,7CI,8CI); Dimethylaniline N-oxide; Dimethylanilineoxide; N,N-Dimethylaniline N-oxide; N,N-Dimethylaniline oxide

Chemical Property of N,N-dimethylaniline N-oxide

Chemical Property:

• Melting Point: 152 °C(Solv: carbon tetrachloride (56-23-5))
• PKA: 4.50±0.20(Predicted)
• PSA: 29.43000
• LogP: 1.78610
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amine Oxides
• Canonical SMILES: C[N+](C)(C1=CC=CC=C1)[O-]

Technology Process of N,N-dimethylaniline N-oxide

There total 11 articles about N,N-dimethylaniline 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: 100.0%

N,N-dimethyl-aniline (121-69-7,77733-26-7) → N,N-dimethylaniline N-oxide (874-52-2)

Guidance literature:

With 4a-FlEt-OOH; In 1,4-dioxane; at 30 ℃; Rate constant;

DOI:10.3987/COM-91-S5

Reference yield:

N,N-dimethyl-aniline (121-69-7,77733-26-7) → N,N,N',N'-tetramethylbenzidine (366-29-0) + N,N-dimethylaniline N-oxide (874-52-2)

Guidance literature:

bei der elektrolytischen Oxydation an einer Platinanode_.Electrolysis;

Reference yield:

acetic anhydride (108-24-7) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → N,N-dimethylaniline N-oxide (874-52-2) + 4,4'-methylene-bis(N,N-dimethylaniline) (101-61-1)

Guidance literature:

upstream raw materials:

N,N-dimethyl-aniline

N-Phenylhydroxylamine

nitrobenzene

dimethyl sulfate

Downstream raw materials:

phenyltrimethylammonium iodide

iodine

N,N-dimethyl-aniline

formic acid

Refernces

• 1、 Peters,Livingstone,Shenin-Johnson,Hines,Schlenk. "Characterization of hepatic flavin monooxygenase from the marine teleost turbot (Scophthalmus maximus L.)". . p. 121 - 131. Retrieved 1995.
• 2、 Ai, Chengmei,Zhu, Fuyuan,Wang, Yanmei,Yan, Zhaohua,Lin, Sen. "SO2F2-Mediated Epoxidation of Olefins with Hydrogen Peroxide". . p. 11928 - 11934. Retrieved 2019/10/02.
• 3、 Karunakaran,Venkataramanan. "Conversion of anilines into azobenzenes in acetic acid with perborate and Mo(VI): correlation of reactivities". . p. 375 - 385. Retrieved 2019/02/14.