Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester

Base Information

Chemical Name:Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester
CAS No.:10444-12-9
Molecular Formula:C12H19NO4
Molecular Weight:
Hs Code.:
DSSTox Substance ID:DTXSID90396868
Wikidata:Q82197804
Mol file:10444-12-9.mol

Synonyms:10444-12-9;Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester;DTXSID90396868

Suppliers and Price of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester

Supply Marketing:

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

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Chemical Property of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester

Chemical Property:

Vapor Pressure:5.37E-05mmHg at 25°C
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:241.13140809
Heavy Atom Count:17
Complexity:298

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(CCC#N)(C(=O)OCC)C(=O)OCC

Technology Process of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester

There total 4 articles about Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester 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: 95.0%

: 107-13-1,25014-41-9
acrylonitrile

: 133-13-1
ethyl diethyl malonate

: 10444-12-9
diethyl 2-(2-cyanoethyl)-2-ethylmalonate

Guidance literature:: With potassium tert-butylate; In tert-butyl alcohol; at 0 - 25 ℃; for 1h;
DOI:10.1002/ejoc.201400064

Reference yield:

: 17216-62-5
diethyl 2-(2-cyanoethyl)malonate

: 75-03-6
ethyl iodide

: 10444-12-9
diethyl 2-(2-cyanoethyl)-2-ethylmalonate

Guidance literature:: diethyl 2-(2-cyanoethyl)malonate; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 1h;

ethyl iodide; In tetrahydrofuran; mineral oil; for 16h;
DOI:10.1021/acs.joc.8b03018

Reference yield:

: 105-53-3
diethyl malonate

: 10444-12-9
diethyl 2-(2-cyanoethyl)-2-ethylmalonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 20 °C

1.2: 16 h

2.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 20 °C

2.2: 16 h

With sodium hydride; In tetrahydrofuran; mineral oil;
DOI:10.1021/acs.joc.8b03018