N-[(E)-2-(3,4-dimethoxyphenyl)ethylideneamino]-2,4-dinitroaniline

Base Information

• Chemical Name: N-[(E)-2-(3,4-dimethoxyphenyl)ethylideneamino]-2,4-dinitroaniline
• CAS No.: 7509-47-9
• Molecular Formula: C16H16 N4 O6
• Molecular Weight: 360.326
• NSC Number: 407393
• DSSTox Substance ID: DTXSID20430441
• Mol file: 7509-47-9.mol

Synonyms:NSC407393;7509-47-9;DTXSID20430441;NSC-407393

Chemical Property of N-[(E)-2-(3,4-dimethoxyphenyl)ethylideneamino]-2,4-dinitroaniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 537.513°C at 760 mmHg
• Flash Point: 278.878°C
• Density: 1.362g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 360.10698424
• Heavy Atom Count: 26
• Complexity: 506

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC
• Isomeric SMILES: COC1=C(C=C(C=C1)C/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Technology Process of N-[(E)-2-(3,4-dimethoxyphenyl)ethylideneamino]-2,4-dinitroaniline

There total 1 articles about N-[(E)-2-(3,4-dimethoxyphenyl)ethylideneamino]-2,4-dinitroaniline 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: 65.0%

2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) + [3-amino-2,4-dihydroxyphenyl]phenylmethanone (87119-03-7) → {3-(3,4-dimethoxy-phenyl)-2-[2-(3,4-dimethoxy-phenyl)-ethylamino]-5-hydroxy-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl}-phenyl-methanone + (3,4-dimethoxy-phenyl)-acetaldehyde-(2,4-dinitro-phenylhydrazone) (7509-47-9)

Guidance literature:

2-(3,4-dimethoxyphenyl)-ethylamine; [3-amino-2,4-dihydroxyphenyl]phenylmethanone; With lithium perchlorate; In methanol; at 20 ℃; Electrochemical reaction;

(2,4-dinitro-phenyl)-hydrazine; With sulfuric acid; lithium perchlorate; In methanol; ethanol; for 1h;

DOI:10.1002/anie.200390263

upstream raw materials:

2-(3,4-dimethoxyphenyl)-ethylamine

(2,4-dinitro-phenyl)-hydrazine

[3-amino-2,4-dihydroxyphenyl]phenylmethanone

Refernces