Diethyl 2-(4-cyanophenyl)malonate

Base Information

Chemical Name:Diethyl 2-(4-cyanophenyl)malonate
CAS No.:201404-26-4
Molecular Formula:C₁₄H₁₅NO₄
Molecular Weight:261.277
Hs Code.:
DSSTox Substance ID:DTXSID80471431
Nikkaji Number:J2.496.044G
Wikidata:Q82299935
Mol file:201404-26-4.mol

Synonyms:201404-26-4;DIETHYL 2-(4-CYANOPHENYL)MALONATE;Diethyl 2-(4-cyanophenyl)propanedioate;diethyl2-(4-cyanophenyl)malonate;1,3-DIETHYL 2-(4-CYANOPHENYL)PROPANEDIOATE;Diethyl 4-cyanophenylmalonate;SCHEMBL6067964;AMY4839;DTXSID80471431;XKGWMWFGOLJWRZ-UHFFFAOYSA-N;Diethyl (4-cyanophenyl)propanedioate;MFCD08703137;AKOS027382444;BS-21953;CS-0208843;Propanedioic acid,2-(4-cyanophenyl)-,1,3-diethyl ester;Propanedioic acid, 2-(4-cyanophenyl)-, 1,3-diethyl ester

Suppliers and Price of Diethyl 2-(4-cyanophenyl)malonate

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

Crysdot
Diethyl2-(4-cyanophenyl)malonate 97%
5g
$ 527.00

American Custom Chemicals Corporation
DIETHYL-2-(4-CYANOPHENYL)MALONATE 95.00%
5MG
$ 501.40

Total 5 raw suppliers

Chemical Property of Diethyl 2-(4-cyanophenyl)malonate

Chemical Property:

Boiling Point:369.7 °C at 760 mmHg
PKA:10.29±0.59(Predicted)
Flash Point:161.7 °C
PSA：76.39000
Density:1.17 g/cm³
LogP:1.76808
Water Solubility.:at 25 deg C (mg/L): 187.1
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:261.10010796
Heavy Atom Count:19
Complexity:345

Purity/Quality:

99% ^*data from raw suppliers

Diethyl2-(4-cyanophenyl)malonate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Diethyl 2-(4-cyanophenyl)malonate

There total 2 articles about Diethyl 2-(4-cyanophenyl)malonate 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: 86.0%

: 3058-39-7
4-iodobenzonitrile

: 105-53-3
diethyl malonate

: 201404-26-4
diethyl 2-(4-cyanophenyl)malonate

Guidance literature:: With copper; caesium carbonate; In dimethyl sulfoxide; at 70 ℃; for 5h; Inert atmosphere;
DOI:10.1055/s-0033-1338437

Reference yield: 77.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 105-53-3
diethyl malonate

: 201404-26-4
diethyl 2-(4-cyanophenyl)malonate

Guidance literature:: With di-tert-butyl(neopentyl)phosphine; sodium hydride; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; mineral oil; at 70 ℃; for 24h;
DOI:10.1016/j.tetlet.2015.01.072

Reference yield:

: 201404-26-4
diethyl 2-(4-cyanophenyl)malonate

: 106-93-4
ethylene dibromide

: C₁₆H₁₈BrNO₄

Guidance literature:: diethyl 2-(4-cyanophenyl)malonate; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

ethylene dibromide; In tetrahydrofuran; for 24h; Inert atmosphere; Reflux;
DOI:10.1002/anie.202010839