Diethyl {[(4-ethoxyphenyl)amino]methylidene}propanedioate

Base Information

• Chemical Name: Diethyl {[(4-ethoxyphenyl)amino]methylidene}propanedioate
• CAS No.: 103976-28-9
• Molecular Formula: C₁₆H₂₁NO₅
• Molecular Weight: 307.346
• European Community (EC) Number: 431-430-0
• DSSTox Substance ID: DTXSID201180643
• Mol file: 103976-28-9.mol

Synonyms:CBMicro_044664;SCHEMBL62488;diethyl {[(4-ethoxyphenyl)amino]methylidene}propanedioate;WQQOKAKJKDTIBY-UHFFFAOYSA-N;DTXSID201180643;STK044836;AKOS003230384;103976-28-9;BIM-0044738.P001;SR-01000226960;SR-01000226960-1;1,3-Diethyl 2-[[(4-ethoxyphenyl)amino]methylene]propanedioate;2-(4-ethoxy-anilinomethylene)-propanedioic acid diethyl ester

Chemical Property of Diethyl {[(4-ethoxyphenyl)amino]methylidene}propanedioate

Chemical Property:

• Vapor Pressure: 3.64E-06mmHg at 25°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 307.14197277
• Heavy Atom Count: 22
• Complexity: 366

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC=C(C(=O)OCC)C(=O)OCC

Technology Process of Diethyl {[(4-ethoxyphenyl)amino]methylidene}propanedioate

There total 2 articles about Diethyl {[(4-ethoxyphenyl)amino]methylidene}propanedioate 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: 93.0%

4-Ethoxyaniline (156-43-4) + diethyl 2-ethoxymethylenemalonate (87-13-8) → 2-(4-ethoxy-anilinomethylene)-propanedioic acid diethyl ester (103976-28-9)

Guidance literature:

for 18h; Reflux;

Reference yield:

4-Ethoxyaniline (156-43-4) → 2-(4-ethoxy-anilinomethylene)-propanedioic acid diethyl ester (103976-28-9)

Guidance literature:

Reference yield: 37.0%

isocyanate de chlorosulfonyle (1189-71-5) + 2-(4-ethoxy-anilinomethylene)-propanedioic acid diethyl ester (103976-28-9) → ethyl 1-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Guidance literature:

In toluene; at 120 ℃; for 19h;

upstream raw materials:

4-Ethoxyaniline

diethyl 2-ethoxymethylenemalonate

Downstream raw materials:

ethyl 6-ethoxy-4-hydroxyquinoline-3-carboxylate

6-ethoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

6-ethoxy-4-hydroxy-quinoline-3-carboxylic acid

ethyl 4-chloro-6-ethoxyquinoline-3-carboxylate