Ethyl 3-(4-cyanophenyl)-3-oxopropanoate

Base Information

Chemical Name:Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
CAS No.:49744-93-6
Molecular Formula:C12H11NO3
Molecular Weight:217.224
Hs Code.:2926909090
European Community (EC) Number:673-431-0
DSSTox Substance ID:DTXSID30374100
Nikkaji Number:J1.007.109G
Wikidata:Q82162591
Mol file:49744-93-6.mol

Synonyms:ethyl 3-(4-cyanophenyl)-3-oxopropanoate;49744-93-6;ethyl (4-cyanobenzoyl)acetate;3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester;ethyl 3-(4-cyanophenyl)-3-oxopropionate;SCHEMBL1919184;DTXSID30374100;TQP1121;ITKQVWKZLCNILF-UHFFFAOYSA-N;MFCD00029621;AKOS009259201;AC-7788;GS-5657;Ethyl 3-(4-cyanophenyl)3-oxopropanoate;ethyl3-(4-cyanophenyl)-3-oxopropanoate;CS-0042081;E1080;FT-0689883;H10275;Benzenepropanoic acid,4-cyano-b-oxo-,ethyl ester;A871730;3-(4-CYAnophenYL)-3-oxopropanoic acid ethyl ESTER;3-(4-Cyanophenyl)-3-oxopropionic Acid Ethyl Ester;3-Oxo-3-(4-cyanophenyl)propanoic acid ethyl ester;3-(4-CYANO-PHENYL)-3-OXO-PROPIONICACIDETHYLESTER

Suppliers and Price of Ethyl 3-(4-cyanophenyl)-3-oxopropanoate

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

TRC
Ethyl3-(4-Cyanophenyl)-3-oxopropanoate
50mg
$ 55.00

TCI Chemical
Ethyl 3-(4-Cyanophenyl)-3-oxopropionate >98.0%(GC)(T)
200mg
$ 164.00

TCI Chemical
Ethyl 3-(4-Cyanophenyl)-3-oxopropionate >98.0%(GC)(T)
1g
$ 573.00

Labseeker
Ethyl3-(4-cyanophenyl)-3-oxopropanoate 95
25g
$ 2475.00

Labseeker
Ethyl3-(4-cyanophenyl)-3-oxopropanoate 95
5g
$ 1333.00

Crysdot
Ethyl3-(4-cyanophenyl)-3-oxopropanoate 97%
5g
$ 424.00

CHESS?
KE000133:3-(4-Cyano-phenyl)-3-oxo-propionicacidethylester 97
5 g
$ 564.00

Chemenu
Ethyl3-(4-cyanophenyl)-3-oxopropanoate 95+%
5g
$ 400.00

Chemenu
Ethyl3-(4-cyanophenyl)-3-oxopropanoate 95+%
1g
$ 128.00

American Custom Chemicals Corporation
ETHYL-3-(4-CYANOPHENYL)-3-OXOPROPANOATE 95.00%
5MG
$ 498.20

Total 28 raw suppliers

Chemical Property of Ethyl 3-(4-cyanophenyl)-3-oxopropanoate

Chemical Property:

Vapor Pressure:2.61E-05mmHg at 25°C
Refractive Index:1.53
Boiling Point:358.1 °C at 760 mmHg
PKA:8.88±0.25(Predicted)
Flash Point:156.5 °C
PSA：67.16000
Density:1.19 g/cm³
LogP:1.69418
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:217.07389321
Heavy Atom Count:16
Complexity:308

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-(4-Cyanophenyl)-3-oxopropanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-(4-cyanophenyl)-3-oxopropanoate

There total 18 articles about Ethyl 3-(4-cyanophenyl)-3-oxopropanoate 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: 96.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 6148-64-7
ethyl potassium malonate

: 82102-37-2
9-methyl-9H-fluorene-9-carbonyl chloride

: 49744-93-6
ethyl 4-cyanobenzoylacetate

Guidance literature:: With dichloro(1,5-cyclooctadiene)palladium(II); N-Methyldicyclohexylamine; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; magnesium chloride; tri tert-butylphosphoniumtetrafluoroborate; In 1,4-dioxane; at 80 ℃; for 18h; under 2250.23 Torr; Reagent/catalyst; Inert atmosphere; Glovebox;
DOI:10.1002/anie.201304072

Reference yield: 90.0%

: 623-73-4
diazoacetic acid ethyl ester

: 105-07-7
4-cyanobenzaldehyde

: 49744-93-6
ethyl 4-cyanobenzoylacetate

Guidance literature:: niobium pentachloride; In dichloromethane; at 27 ℃; for 3.5h;
DOI:10.1016/j.tet.2004.11.027

Reference yield: 83.0%

: 201230-82-2
carbon monoxide

: 623-00-7
4-bromobenzenecarbonitrile

: 141-97-9
ethyl acetoacetate

: 49744-93-6
ethyl 4-cyanobenzoylacetate

Guidance literature:: carbon monoxide; 4-bromobenzenecarbonitrile; ethyl acetoacetate; With dichloro(1,5-cyclooctadiene)palladium(II); triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; magnesium chloride; In 1,4-dioxane; at 80 ℃; for 18h;

With hydrogenchloride; In 1,4-dioxane; water; at 80 ℃; for 1h;
DOI:10.1002/adsc.201400545