Ethyl 4-(2-ethoxy-2-oxoethyl)benzoate

Base Information

Chemical Name:Ethyl 4-(2-ethoxy-2-oxoethyl)benzoate
CAS No.:3516-89-0
Molecular Formula:C13H16O4
Molecular Weight:236.268
Hs Code.:2918990090
DSSTox Substance ID:DTXSID80441457
Nikkaji Number:J472.786J
Wikidata:Q82258229
Mol file:3516-89-0.mol

Synonyms:Ethyl 4-(2-ethoxy-2-oxoethyl)benzoate;3516-89-0;Benzeneacetic acid, 4-(ethoxycarbonyl)-, ethyl ester;benzeneacetic acid,4-(ethoxycarbonyl)-,ethyl ester;SCHEMBL2170299;DTXSID80441457;4-Ethoxycarbonylbenzeneacetic acid ethyl ester;J-650221

Suppliers and Price of Ethyl 4-(2-ethoxy-2-oxoethyl)benzoate

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

Total 4 raw suppliers

Chemical Property of Ethyl 4-(2-ethoxy-2-oxoethyl)benzoate

Chemical Property:

PSA：52.60000
LogP:1.96890
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:236.10485899
Heavy Atom Count:17
Complexity:254

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CC1=CC=C(C=C1)C(=O)OCC

Technology Process of Ethyl 4-(2-ethoxy-2-oxoethyl)benzoate

There total 18 articles about Ethyl 4-(2-ethoxy-2-oxoethyl)benzoate 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%

: 5798-75-4
Ethyl 4-bromobenzoate

: 105-53-3
diethyl malonate

: 3516-89-0
ethyl 2-(4-(ethoxycarbonyl)phenyl)acetate

Guidance literature:: With potassium carbonate; potassium hydrogencarbonate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; tri tert-butylphosphoniumtetrafluoroborate; at 160 ℃; for 8h; Inert atmosphere;
DOI:10.1002/adsc.201100102

Reference yield: 90.0%

: 7335-27-5
ethyl 4-chlorobenzoate

: 5764-82-9
bromo(2-ethoxy-2-oxoethyl)zinc

: 3516-89-0
ethyl 2-(4-(ethoxycarbonyl)phenyl)acetate

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N,N,N,N,-tetramethylethylenediamine; C₃₈H₆₂P₂; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;
DOI:10.1002/anie.202016048

Reference yield: 88.0%

: 7335-27-5
ethyl 4-chlorobenzoate

: 105-53-3
diethyl malonate

: 3516-89-0
ethyl 2-(4-(ethoxycarbonyl)phenyl)acetate

Guidance literature:: With potassium carbonate; potassium hydrogencarbonate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; tri tert-butylphosphoniumtetrafluoroborate; at 160 ℃; for 8h; Inert atmosphere;
DOI:10.1002/adsc.201100102