Ethyl 2-(4-(1,1-dimethylethyl)phenoxy)propionate

Base Information

Chemical Name:Ethyl 2-(4-(1,1-dimethylethyl)phenoxy)propionate
CAS No.:94022-67-0
Molecular Formula:C₁₅H₂₂O₃
Molecular Weight:250.338
Hs Code.:
European Community (EC) Number:301-565-9
DSSTox Substance ID:DTXSID60916658
Nikkaji Number:J348.969H
Mol file:94022-67-0.mol

Synonyms:94022-67-0;EINECS 301-565-9;Ethyl 2-(4-(1,1-dimethylethyl)phenoxy)propionate;ethyl 2-(4-tert-butylphenoxy)propanoate;Ethyl 2-[4-(1,1-dimethylethyl)phenoxy]propionate;SCHEMBL4790092;DTXSID60916658;VGBZYLBDLXGDJR-UHFFFAOYSA-N;AKOS005946186;2-(4-tert-Butylphenoxy)propanoic acid ethyl ester;2-(4tert-Butyl-phenoxy)-propionic acid ethyl ester;2-(4-tert-Butyl-phenoxy)-propionic Acid Ethyl Ester

Suppliers and Price of Ethyl 2-(4-(1,1-dimethylethyl)phenoxy)propionate

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 2-(4-(1,1-dimethylethyl)phenoxy)propionate

Chemical Property:

Vapor Pressure:0.000278mmHg at 25°C
Boiling Point:322.5°Cat760mmHg
Flash Point:132.5°C
PSA：35.53000
Density:1.001g/cm³
LogP:3.31450
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:250.15689456
Heavy Atom Count:18
Complexity:259

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C)OC1=CC=C(C=C1)C(C)(C)C

Technology Process of Ethyl 2-(4-(1,1-dimethylethyl)phenoxy)propionate

There total 1 articles about Ethyl 2-(4-(1,1-dimethylethyl)phenoxy)propionate 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: 100.0%

: 98-54-4
para-tert-butylphenol

: 535-11-5,41978-69-2
Ethyl 2-bromopropionate

: 94022-67-0,958238-91-0
2-(4-tert-Butyl-phenoxy)-propionic Acid Ethyl Ester

Guidance literature:: With NaH; In N,N-dimethyl-formamide; mineral oil;

Reference yield: 70.0%

: 4397-53-9
p-benzyloxybenzaldehyde

: 94022-67-0,958238-91-0
2-(4-tert-Butyl-phenoxy)-propionic Acid Ethyl Ester

: 401468-92-6
3-(4-benzyloxy-phenyl)-2-(4-tert-butyl-phenoxy)-3-hydroxy-2-methyl-propionic acid ethyl ester

Guidance literature:: 2-(4-tert-Butyl-phenoxy)-propionic Acid Ethyl Ester; With lithium diisopropyl amide; at -78 ℃;

p-benzyloxybenzaldehyde;
DOI:10.1016/j.bmcl.2004.09.031

Reference yield:

: 94022-67-0,958238-91-0
2-(4-tert-Butyl-phenoxy)-propionic Acid Ethyl Ester

: 3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-(4-tert-butylphenoxy)-propionic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 70 percent / LDA / -78 °C

2: 100 percent / pyridine / CH₂Cl₂

3: 90 percent / H₂ / Pd/C / ethyl acetate

4: 70 percent / Cs₂CO₃ / dimethylformamide / 55 °C

5: 99 percent / aq. NaOH / ethanol / Heating

With pyridine; sodium hydroxide; hydrogen; caesium carbonate; lithium diisopropyl amide; palladium on activated charcoal; In ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2004.09.031