3-(4-Isopropyl-phenyl)-propionic acid ethyl ester

Base Information

Chemical Name:3-(4-Isopropyl-phenyl)-propionic acid ethyl ester
CAS No.:79942-37-3
Molecular Formula:C14H20 O2
Molecular Weight:220.312
Hs Code.:
DSSTox Substance ID:DTXSID80475838
Nikkaji Number:J1.772.570J
Wikidata:Q82306638
Mol file:79942-37-3.mol

Synonyms:79942-37-3;3-(4-ISOPROPYL-PHENYL)-PROPIONIC ACID ETHYL ESTER;SCHEMBL879019;DTXSID80475838;AKOS010484033;AG-H-20362

Suppliers and Price of 3-(4-Isopropyl-phenyl)-propionic acid ethyl ester

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

American Custom Chemicals Corporation
3-(4-ISOPROPYL-PHENYL)-PROPIONIC ACID ETHYL ESTER 95.00%
5MG
$ 501.31

Total 4 raw suppliers

Chemical Property of 3-(4-Isopropyl-phenyl)-propionic acid ethyl ester

Chemical Property:

PSA：26.30000
LogP:3.30570
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:

97% ^*data from raw suppliers

3-(4-ISOPROPYL-PHENYL)-PROPIONIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCC1=CC=C(C=C1)C(C)C

Technology Process of 3-(4-Isopropyl-phenyl)-propionic acid ethyl ester

There total 4 articles about 3-(4-Isopropyl-phenyl)-propionic acid ethyl ester 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: 61.0%

: 586-61-8
4-iso-propylbromobenzene

: 140-88-5,9003-32-1
ethyl acrylate

: 79942-37-3
ethyl 3-(4'-isopropylphenyl)propionate

: 128408-02-6
ethyl (E)-3-(4-isopropylphenyl)-2-propenoate

Guidance literature:: With pyridine; [2,2]bipyridinyl; triethylamine; cobalt(II) bromide; In acetonitrile; at 70 ℃; Electrochemical reaction;
DOI:10.1016/S0040-4039(02)01286-8

Reference yield: 45.0%

: 18620-03-6
4-isopropylphenylmagnesium bromide

: 140-88-5,9003-32-1
ethyl acrylate

: 79942-37-3
ethyl 3-(4'-isopropylphenyl)propionate

Guidance literature:: With copper(l) chloride; In tetrahydrofuran; for 0.833333h; Ambient temperature;

Reference yield:

: 2111-75-3
perillaldehyde

: 79942-37-3
ethyl 3-(4'-isopropylphenyl)propionate

Guidance literature:: Multi-step reaction with 2 steps

1: 89.5 percent / tetrahydrofuran / Ambient temperature

2: 62.5 percent / iodine / 30 h / 170 - 180 °C

With iodine; In tetrahydrofuran;