(2E)-3-(4-methoxyphenyl)-N-[2-(phenylethynyl)phenyl]prop-2-enamide

Base Information

• Chemical Name: (2E)-3-(4-methoxyphenyl)-N-[2-(phenylethynyl)phenyl]prop-2-enamide
• CAS No.: 5556-89-8
• Molecular Formula: C₁₃H₁₂N₂O₃
• Molecular Weight: 244.25
• DSSTox Substance ID: DTXSID20367243
• Wikidata: Q82152965
• Mol file: 5556-89-8.mol

Synonyms:STK133976;(2E)-3-(4-methoxyphenyl)-N-[2-(phenylethynyl)phenyl]prop-2-enamide;DTXSID20367243;AKOS005403961

Chemical Property of (2E)-3-(4-methoxyphenyl)-N-[2-(phenylethynyl)phenyl]prop-2-enamide

Chemical Property:

• Vapor Pressure: 2.52E-14mmHg at 25°C
• Boiling Point: 599.4°Cat760mmHg
• Flash Point: 316.3°C
• Density: 1.2g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 353.141578849
• Heavy Atom Count: 27
• Complexity: 555

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C#CC3=CC=CC=C3
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C#CC3=CC=CC=C3

Technology Process of (2E)-3-(4-methoxyphenyl)-N-[2-(phenylethynyl)phenyl]prop-2-enamide

There total 1 articles about (2E)-3-(4-methoxyphenyl)-N-[2-(phenylethynyl)phenyl]prop-2-enamide 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: 75.0%

asaraldehyde (4460-86-0,14374-62-0) + malononitrile (109-77-3) → 2,4,5-trimethoxybenzylidene propanedinitrile (5556-89-8)

Guidance literature:

With pyridine; In ethanol; at 80 ℃; for 3h;

DOI:10.1007/s10895-015-1662-6

Reference yield:

4-(3-oxo-cyclohex-1-enylamino)benzenesulfonamide (92959-60-9) + 2,4,5-trimethoxybenzylidene propanedinitrile (5556-89-8) → 4-[2-amino-3-cyano-4-(2,4,5-trimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide (1221564-25-5)

Guidance literature:

With triethylamine; In ethanol; for 6h; Reflux;

DOI:10.1016/j.ejmech.2010.01.022

Reference yield:

2-cyano-N'-[1-(2,5-dimethoxyphenyl)ethylidene]acetohydrazide (1374879-71-6) + 2,4,5-trimethoxybenzylidene propanedinitrile (5556-89-8) → 6-amino-1-[1-(2,5-dimethoxyphenyl)ethylideneamino]-4-(2,4-5-trimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile

Guidance literature:

With triethylamine; In 1,4-dioxane; for 4h; Reflux;

DOI:10.1002/jhet.829

upstream raw materials:

asaraldehyde

malononitrile

Downstream raw materials:

4-[2-amino-3-cyano-4-(2,4,5-trimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide