Benzenepropanoic acid, 4-(1-methylethoxy)-, 1-methylethyl ester

Base Information

Chemical Name:Benzenepropanoic acid, 4-(1-methylethoxy)-, 1-methylethyl ester
CAS No.:301224-94-2
Molecular Formula:C15H22O3
Molecular Weight:250.338
Hs Code.:
DSSTox Substance ID:DTXSID90475980
Wikidata:Q82306827
Mol file:301224-94-2.mol

Synonyms:Benzenepropanoic acid, 4-(1-methylethoxy)-, 1-methylethyl ester;301224-94-2;SCHEMBL5361353;DTXSID90475980;AKOS000277329

Suppliers and Price of Benzenepropanoic acid, 4-(1-methylethoxy)-, 1-methylethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzenepropanoic acid, 4-(1-methylethoxy)-, 1-methylethyl ester

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:250.15689456
Heavy Atom Count:18
Complexity:240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC1=CC=C(C=C1)CCC(=O)OC(C)C

Technology Process of Benzenepropanoic acid, 4-(1-methylethoxy)-, 1-methylethyl ester

There total 3 articles about Benzenepropanoic acid, 4-(1-methylethoxy)-, 1-methylethyl 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: 94.0%

: 501-97-3
4-hydroxyphenylpropionic acid

: 75-26-3
isopropyl bromide

: 301224-94-2
4-(1-methylethoxy)benzenepropanoic acid (1-methyl)ethyl ester

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 24h;
DOI:10.1002/jhet.5570390626

Reference yield: 82.0%

: 75-30-9
2-iodo-propane

: 116144-68-4
isopropyl-1-(p-hydroxyphenyl)propionate

: 301224-94-2
4-(1-methylethoxy)benzenepropanoic acid (1-methyl)ethyl ester

Guidance literature:: isopropyl-1-(p-hydroxyphenyl)propionate; With sodium hydride; In tetrahydrofuran; at 0 ℃;

2-iodo-propane; In tetrahydrofuran; N,N-dimethyl-formamide; at 22 ℃; for 12h; Further stages.;
DOI:10.1021/ja001179g

Reference yield:

: 501-97-3
4-hydroxyphenylpropionic acid

: 301224-94-2
4-(1-methylethoxy)benzenepropanoic acid (1-methyl)ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: 98 percent / HCl / 12 h / 22 °C

2.1: NaH / tetrahydrofuran / 0 °C

2.2: 82 percent / dimethylformamide; tetrahydrofuran / 12 h / 22 °C

With hydrogenchloride; sodium hydride; In tetrahydrofuran; 1.1: Esterification / 2.1: deprotonation / 2.2: Etherification;
DOI:10.1021/ja001179g