Diethyl (4-cyanophenylamino)methylenemalonate

Base Information

Chemical Name:Diethyl (4-cyanophenylamino)methylenemalonate
CAS No.:26832-90-6
Molecular Formula:C15H16 N2 O4
Molecular Weight:288.303
Hs Code.:2926909090
DSSTox Substance ID:DTXSID90365812
ChEMBL ID:CHEMBL3197574
Mol file:26832-90-6.mol

Synonyms:26832-90-6;DIETHYL (4-CYANOPHENYLAMINO)METHYLENEMALONATE;Diethyl 2-(4-cyanophenylamino)methylenemalonate;SCHEMBL4992559;CHEMBL3197574;DTXSID90365812;WTJNGNCFEMMCMG-UHFFFAOYSA-N;AKOS034475854;FT-0624810;Diethyl [(4-cyanoanilino)methylidene]propanedioate;diethyl 2-((4-cyanophenylamino)methylene)malonate;SR-01000062806;SR-01000062806-1;Z57981043

Suppliers and Price of Diethyl (4-cyanophenylamino)methylenemalonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Diethyl (4-cyanophenylamino)methylenemalonate

Chemical Property:

Vapor Pressure:2.02E-06mmHg at 25°C
Refractive Index:1.545
Boiling Point:394.2°C at 760 mmHg
PKA:-4.06±0.70(Predicted)
Flash Point:192.2°C
PSA：88.42000
Density:1.2g/cm³
LogP:2.05328
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:288.11100700
Heavy Atom Count:21
Complexity:422

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(=CNC1=CC=C(C=C1)C#N)C(=O)OCC

Technology Process of Diethyl (4-cyanophenylamino)methylenemalonate

There total 2 articles about Diethyl (4-cyanophenylamino)methylenemalonate 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: 85.0%

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 873-74-5
4-Aminobenzonitrile

: 26832-90-6
diethyl 2-(4-cyanophenylamino)methylenemalonate

Guidance literature:: In toluene;

Reference yield:

: 26832-90-6
diethyl 2-(4-cyanophenylamino)methylenemalonate

Guidance literature:: entspr.Anilin, entspr.Malonester;

Reference yield:

: 26832-90-6
diethyl 2-(4-cyanophenylamino)methylenemalonate

: 403839-11-2
4-[[(3-Chloro-4-methoxyphenyl)methyl]amino ]-6-quinolinecarbonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: diphenyl ether / 2 h / Heating

2: POCl₃ / Heating

3: DIEA / propan-1-ol / 2 h / Heating

4: NaOH / methanol / 1 h / 20 °C

5: 75 percent / diphenyl ether / 0.5 h / 240 °C

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; trichlorophosphate; In methanol; propan-1-ol; diphenylether;
DOI:10.1016/j.bmcl.2003.12.090