Ethanamine, N,N-diethyl-, N-oxide

Base Information

• Chemical Name: Ethanamine, N,N-diethyl-, N-oxide
• CAS No.: 2687-45-8
• Molecular Formula: C6H15 N O
• Molecular Weight: 117.191
• Hs Code.: 2921199090
• European Community (EC) Number: 700-199-0
• DSSTox Substance ID: DTXSID1062592
• Nikkaji Number: J27.141A
• Wikidata: Q81990129
• Mol file: 2687-45-8.mol

Synonyms:triethylamine-N-oxide

Chemical Property of Ethanamine, N,N-diethyl-, N-oxide

Chemical Property:

• Melting Point: 165 °C
• Boiling Point: °Cat760mmHg
• PKA: 5.12±0.40(Predicted)
• Flash Point: °C
• PSA: 29.43000
• Density: g/cm³
• LogP: 1.38160
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 51.3

Purity/Quality:

98%Min ^*data from raw suppliers

N,N-diethylethanamineoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethanamine, N,N-diethyl-, N-oxide

There total 5 articles about Ethanamine, N,N-diethyl-, 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: 86.0%

3,5-Bis-(4-methoxy-phenyl)-4,4,5-trimethyl-4,5-dihydro-3H-pyrazol-3-yl-hydroperoxide (112450-12-1) + triethylamine (121-44-8) → triethylamine N-oxide (2687-45-8) + 3,5-Bis-(4-methoxy-phenyl)-4,4,5-trimethyl-4,5-dihydro-3H-pyrazol-3-ol (112450-09-6)

Guidance literature:

In acetone; at 34 ℃; Rate constant; k2= 5.7E-3 M^-1sec^-1;

DOI:10.1016/S0040-4039(00)96020-9

Reference yield: 74.0%

3,4,4-trimethyl-4,5-dihydro-5-hydroperoxy-3,5-diphenyl-3H-pyrazoles (112450-13-2) + triethylamine (121-44-8) → triethylamine N-oxide (2687-45-8) + 3,4,4-trimethyl-4,5-dihydro-5-hydroxy-3,5-diphenyl-3H-pyrazole (112450-10-9)

Guidance literature:

In acetone; at 34 ℃; Rate constant; k2= 1E-2 M^-1sec^-1;

DOI:10.1016/S0040-4039(00)96020-9

Reference yield:

triethylamine (121-44-8) → triethylamine N-oxide (2687-45-8) + acetaldehyde (75-07-0,9002-91-9) + diethylamine (109-89-7)

Guidance literature:

With ozone; In water; Kinetics;

upstream raw materials:

3,4,4-trimethyl-4,5-dihydro-5-hydroperoxy-3,5-diphenyl-3H-pyrazoles

triethylamine

3,5-Bis-(4-methoxy-phenyl)-4,4,5-trimethyl-4,5-dihydro-3H-pyrazol-3-yl-hydroperoxide

3-hydroperoxy-3-phenyl-4,4,5,5-tetramethyl-1,2-dioxolane

Downstream raw materials:

diethylacetamide

triethylamine

(E/Z)-3,7-dimethyl-2,6-octadienal

(2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dien-1-yl acetate

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