N-methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine

Base Information

• Chemical Name: N-methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
• CAS No.: 115287-37-1
• Molecular Formula: C17H19N3O5
• Molecular Weight: 345.355
• Hs Code.: 2922299090
• ChEMBL ID: CHEMBL3590445
• DSSTox Substance ID: DTXSID00562557
• Nikkaji Number: J3.449.090B
• Wikidata: Q72493647
• Mol file: 115287-37-1.mol

Synonyms:115287-37-1;N-methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine;N-Methyl-N-(2-(4-nitrophenoxy)ethyl)-2-(4-nitrophenyl)ethanamine;N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]phenylethylamine;Methyl-(4-nitrophenylethyl)-(4-nitrophenoxyethyl)amine;Benzeneethanamine, N-methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]-;N-methyl-N-[2-(4-nitrophenoxy)ethyl]-2-(4-nitrophenyl)ethanamine;CHEMBL3590445;n-methyl-2-(4-nitrophenoxy)-n-(2-(4-nitrophenyl)ethyl)ethanamine;C17H19N3O5;SCHEMBL3929250;DTXSID00562557;BCP10985;BDBM50095641;MFCD08236712;AKOS005259935;CS-W011888;AC-22453;DS-11275;M1999;F10561;A803406;J-003277;N-Methyl-N-[2-(4-nitrophenoxy)ethyl]-4-nitrophenethylamine;N-methyl-N-(2-(4-nitrophenoxy)ethyl)-2-(4-nitrophenyl)ethyl);1-(4-Nitrophenoxy)-2-[N-methyl-N-(4-nitrophenethyl)amino]ethane;N-Methyl-[2-(4-nitrophenoxy)ethyl] 2-(4-nitrophenyl)ethylamine;N-Methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethan-1-amine

Chemical Property of N-methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine

Chemical Property:

• Appearance/Colour: brown solid
• Vapor Pressure: 1.21E-10mmHg at 25°C
• Melting Point: 70.0 to 74.0 °C
• Refractive Index: 1.6
• Boiling Point: 513.2 °C at 760 mmHg
• PKA: 7.60±0.50(Predicted)
• Flash Point: 264.1 °C
• PSA: 104.11000
• Density: 1.273 g/cm³
• LogP: 4.10270
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 345.13247072
• Heavy Atom Count: 25
• Complexity: 421

Purity/Quality:

99% ^*data from raw suppliers

Methyl-(4-nitrophenylethyl)-(4-nitrophenoxyethyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCC1=CC=C(C=C1)[N+](=O)[O-])CCOC2=CC=C(C=C2)[N+](=O)[O-]
• Uses: Methyl-(4-nitrophenylethyl)-(4-nitrophenoxyethyl)amine (cas# 115287-37-1) is a compound useful in organic synthesis.

Technology Process of N-methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine

There total 1 articles about N-methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine 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: 64.0%

1-(2-chloroethoxy)-4-nitrobenzene (3383-72-0) + N-methyl-N-[2-(4-nitro-phenyl)-ethyl]-amine (85176-37-0) → 1-(4-nitrophenoxy)-2-ethane (115287-37-1)

Guidance literature:

With potassium carbonate; sodium iodide; In acetonitrile; for 72h; Heating;

DOI:10.1021/jm00166a011

Reference yield: 93.7%

1-(4-nitrophenoxy)-2-ethane (115287-37-1) → 1-(4-aminophenoxy)-2-[N-(4-aminophenethyl)-N-methylamino]ethane (115256-13-8)

Guidance literature:

With palladium 10% on activated carbon; In acetic acid butyl ester; ethyl acetate; at 6 ℃; for 60h; under 2250.23 Torr; Solvent; Temperature; Pressure;

Reference yield:

1-(4-nitrophenoxy)-2-ethane (115287-37-1) → dofetilide (115256-11-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / H₂ / Raney nickel / ethanol / 16 h / 2280 Torr / Ambient temperature

2: 51 percent / CH₂Cl₂ / Ambient temperature

With hydrogen; nickel; In ethanol; dichloromethane;

DOI:10.1021/jm00166a011

upstream raw materials:

1-(2-chloroethoxy)-4-nitrobenzene

N-methyl-N-[2-(4-nitro-phenyl)-ethyl]-amine

Downstream raw materials:

1-(4-aminophenoxy)-2-[N-(4-aminophenethyl)-N-methylamino]ethane

dofetilide

Refernces

• 1、 -. "Anti-arrhythmic agents". . . Retrieved 2008/06/13.