Ethyl phenylcyanoacetate

Base Information Edit

Chemical Name:Ethyl phenylcyanoacetate
CAS No.:4553-07-5
Molecular Formula:C11H11NO2
Molecular Weight:189.214
Hs Code.:29269095
European Community (EC) Number:224-921-4
NSC Number:362
DSSTox Substance ID:DTXSID101032223
Nikkaji Number:J122.038A
Wikidata:Q27122995
Metabolomics Workbench ID:57972
Mol file:4553-07-5.mol

Synonyms:Ethyl phenylcyanoacetate;Ethyl 2-cyano-2-phenylacetate;4553-07-5;Phenylcyanoacetic acid ethyl ester;Ethyl cyanophenylacetate;ethyl cyano(phenyl)acetate;ethylphenylcyanoacetate;Acetic acid, cyanophenyl-, ethyl ester;Ethyl alpha-cyanophenylacetate;Ethyl alpha-cyano-alpha-phenylacetate;MFCD00001866;alpha-cyanobenzeneacetic acid, ethyl ester;Benzeneacetic acid, .alpha.-cyano-, ethyl ester;ethyl-2-phenylcyanoacetate;Benzeneacetic acid, alpha-cyano-, ethyl ester;SCHEMBL502194;Ethyl alpha-cyanobenzeneacetate;ethyl-2-cyano-2-phenylacetate;Ethyl phenylcyanoacetate, 95%;NSC362;Ethyl .alpha.-cyanophenylacetate;CHEBI:51926;NSC 362;NSC-362;DTXSID101032223;EINECS 224-921-4;AKOS005203415;DS-14028;Ethyl .alpha.-cyano-.alpha.-phenylacetate;AI3-05831;P1255;EN300-66020;Ethyl ester of .alpha.-cyanobenzeneacetic acid;W10859;W-200053;Q27122995

Suppliers and Price of Ethyl phenylcyanoacetate

Supply Marketing:Edit

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

TRC
Ethyl phenylcyanoacetate
5g
$ 85.00

TCI Chemical
Ethyl Phenylcyanoacetate >95.0%(GC)
5g
$ 38.00

TCI Chemical
Ethyl Phenylcyanoacetate >95.0%(GC)
25g
$ 111.00

SynQuest Laboratories
Ethyl cyano(phenyl)acetate
25 g
$ 208.00

SynQuest Laboratories
Ethyl cyano(phenyl)acetate
10 g
$ 106.00

Sigma-Aldrich
Ethyl phenylcyanoacetate 95%
5g
$ 50.20

Oakwood
Ethyl phenylcyanoacetate 95%
250mg
$ 11.00

Matrix Scientific
Ethyl 2-cyano-2-phenylacetate 97%
10g
$ 110.00

Matrix Scientific
Ethyl 2-cyano-2-phenylacetate 97%
50g
$ 355.00

Apolloscientific
Ethylcyano(phenyl)acetate
25g
$ 189.00

Total 19 raw suppliers

Chemical Property of Ethyl phenylcyanoacetate Edit

Chemical Property:

Appearance/Colour:clear colorless to light yellow liquid
Vapor Pressure:0.00523mmHg at 25°C
Melting Point:115-116 °C
Refractive Index:1.5033-1.5053
Boiling Point:275 °C at 760 mmHg
Flash Point:137.5 °C
PSA：50.09000
Density:1.117g/cm³
LogP:1.85688
Storage Temp.:Refrigerator
Solubility.:Chloroform, DMSO, Methanol (Slightly)
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:235

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl phenylcyanoacetate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21-36/37/38-20/21/22
Safety Statements: 23-37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C#N)C1=CC=CC=C1
Uses Ethyl phenylcyanoacetate?is a reagent used for the asymmetric synthesis of?(-)-manzacidin A.?It is also a useful reagent for C-C bond formation by conjugate additions with vinyl sulfones.

Technology Process of Ethyl phenylcyanoacetate

There total 27 articles about Ethyl phenylcyanoacetate 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: 93.0%

: 108-90-7
chlorobenzene

: 105-56-6
ethyl 2-cyanoacetate

: 4553-07-5
ethyl phenylcyanoacetate

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 90 ℃; for 5h;
DOI:10.1002/anie.200351954