Ethyl 4-isobutylphenylacetate

Base Information

Chemical Name:Ethyl 4-isobutylphenylacetate
CAS No.:15649-02-2
Molecular Formula:C14H20 O2
Molecular Weight:220.312
Hs Code.:2916399090
European Community (EC) Number:239-718-6
DSSTox Substance ID:DTXSID50166089
Nikkaji Number:J248.720I
Wikidata:Q83035332
Mol file:15649-02-2.mol

Synonyms:Ethyl 4-isobutylphenylacetate;15649-02-2;ethyl 2-[4-(2-methylpropyl)phenyl]acetate;Ibufenac Ethyl Ester;EINECS 239-718-6;Benzeneacetic acid, 4-(2-methylpropyl)-, ethyl ester;SCHEMBL8252200;DTXSID50166089;Ethyl (4-isobutyl-phenyl)-acetate;AKOS017187609;4-Isobutylbenzeneacetic acid ethyl ester

Suppliers and Price of Ethyl 4-isobutylphenylacetate

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
IbufenacEthylEster
250mg
$ 345.00

TRC
IbufenacEthylEster
100mg
$ 140.00

Total 3 raw suppliers

Chemical Property of Ethyl 4-isobutylphenylacetate

Chemical Property:

Vapor Pressure:0.0017mmHg at 25°C
Boiling Point:293.7°Cat760mmHg
Flash Point:106°C
PSA：26.30000
Density:0.979g/cm³
LogP:2.99070
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:220.146329876
Heavy Atom Count:16
Complexity:203

Purity/Quality:

99% ^*data from raw suppliers

IbufenacEthylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=CC=C(C=C1)CC(C)C
Uses Ibufenac Ethyl Ester is a derivative of Ibufenac (I130000), which is used as an analgesic, anti-inflammatory.

Technology Process of Ethyl 4-isobutylphenylacetate

There total 7 articles about Ethyl 4-isobutylphenylacetate 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: 92.0%

: 75280-07-8
ethyl α-methylthio-(p-isobutylphenyl)acetate

: 15649-02-2
ethyl p-isobutylphenyl acetate

Guidance literature:: With zinc; In acetic acid; at 100 - 110 ℃; for 1h;

Reference yield: 71.0%

: 2051-99-2
1-bromo-4-isobutylbenzene

: 105-53-3
diethyl malonate

: 15649-02-2
ethyl p-isobutylphenyl acetate

Guidance literature:: With C₁₉H₂₃N₃O₂; copper(l) chloride; sodium t-butanolate; In ethanol; at 80 ℃; for 36h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.1c03688

Reference yield:

: 538-93-2
1-phenyl-2-methylpropane

: 15649-02-2
ethyl p-isobutylphenyl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: SnCl₄ / CH₂Cl₂ / 0.67 h / Ambient temperature

2: Zn dust / acetic acid / 1 h / 100 °C

With zinc; tin(IV) chloride; In dichloromethane; acetic acid;
DOI:10.1016/0040-4039(80)80124-9