Ethyl 2-cyano-2-(4-cyanophenyl)acetate

Base Information

Chemical Name:Ethyl 2-cyano-2-(4-cyanophenyl)acetate
CAS No.:120885-48-5
Molecular Formula:C12H10 N2 O2
Molecular Weight:214.224
Hs Code.:
DSSTox Substance ID:DTXSID20444028
Nikkaji Number:J1.433.131J
Mol file:120885-48-5.mol

Synonyms:Ethyl 2-cyano-2-(4-cyanophenyl)acetate;120885-48-5;Benzeneacetic acid,a,4-dicyano-,ethyl ester;DTXSID20444028;MFCD08703138;AKOS015910527;BS-30283;CS-0208707;E89089;2-Cyano-2-(4-cyanophenyl)acetic acid ethyl ester

Suppliers and Price of Ethyl 2-cyano-2-(4-cyanophenyl)acetate

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
Ethyl2-cyano-2-(4-cyanophenyl)acetate 97%
5g
$ 339.00

Crysdot
Ethyl2-cyano-2-(4-cyanophenyl)acetate 97%
10g
$ 640.00

American Custom Chemicals Corporation
ETHYL-2-CYANO-2-(4-CYANOPHENYL)ACETATE 95.00%
5MG
$ 499.32

Total 5 raw suppliers

Chemical Property of Ethyl 2-cyano-2-(4-cyanophenyl)acetate

Chemical Property:

Boiling Point:377.4 °C at 760 mmHg
Flash Point:165.1 °C
PSA：73.88000
Density:1.19 g/cm³
LogP:1.72856
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:214.074227566
Heavy Atom Count:16
Complexity:339

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-cyano-2-(4-cyanophenyl)acetate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-cyano-2-(4-cyanophenyl)acetate

There total 5 articles about Ethyl 2-cyano-2-(4-cyanophenyl)acetate 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: 98.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 105-56-6
ethyl 2-cyanoacetate

: 120885-48-5
ethyl α-cyano(p-cyanophenyl)acetate

Guidance literature:: With P(i-BuNCH₂CH₂)3N; potassium tert-butylate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In toluene; at 70 ℃; for 5h;
DOI:10.1021/jo034779h

Reference yield: 96.0%

: 623-03-0
4-Cyanochlorobenzene

: 105-56-6
ethyl 2-cyanoacetate

: 120885-48-5
ethyl α-cyano(p-cyanophenyl)acetate

Guidance literature:: With potassium tert-butylate; 2,8,9-tris(2-methylpropyl)-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 5h;
DOI:10.1002/anie.200351954

Reference yield: 30.0%

: 3058-39-7
4-iodobenzonitrile

: 105-56-6
ethyl 2-cyanoacetate

: 120885-48-5
ethyl α-cyano(p-cyanophenyl)acetate

Guidance literature:: ethyl 2-cyanoacetate; With sodium hydride; In tetrahydrofuran; Inert atmosphere;

4-iodobenzonitrile; With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; 1,3,5,7-tetramethyl-2,4,8-trioxa-6-isobutyl-6-phosphaadamantane; In tetrahydrofuran; at 60 ℃; Inert atmosphere;
DOI:10.1021/ol202565j