Ethyl 2-(4-ethylphenyl)acetate

Base Information

• Chemical Name: Ethyl 2-(4-ethylphenyl)acetate
• CAS No.: 14062-20-5
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.25
• DSSTox Substance ID: DTXSID00697510
• Nikkaji Number: J3.588.939F
• Wikidata: Q82627428
• Mol file: 14062-20-5.mol

Synonyms:ETHYL 2-(4-ETHYLPHENYL)ACETATE;14062-20-5;(4-Ethylphenyl)acetic acid ethyl ester;Ethyl (4-ethylphenyl)acetate;ethyl (4-ethyl-phenyl)-acetate;SCHEMBL10299459;DTXSID00697510;WKGJQUDONDDASX-UHFFFAOYSA-N;4-Ethylphenylacetic acid ethyl ester;AKOS011835695;CS-0337378;J3.588.939F

Chemical Property of Ethyl 2-(4-ethylphenyl)acetate

Chemical Property:

• PSA: 26.30000
• LogP: 2.35460
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

(4-Ethylphenyl)aceticacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)CC(=O)OCC

Technology Process of Ethyl 2-(4-ethylphenyl)acetate

There total 11 articles about Ethyl 2-(4-ethylphenyl)acetate 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: 90.2%

4-ethylphenylboronic acid (63139-21-9) + ethyl bromoacetate (105-36-2) → ethyl (4-ethyl-phenyl)-acetate (14062-20-5)

Guidance literature:

With copper(I) oxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In toluene; at 80 ℃; for 18h; Inert atmosphere;

Reference yield:

diazoacetic acid ethyl ester (623-73-4) + ethylbenzene (100-41-4,27536-89-6) → ethyl (4-ethyl-phenyl)-acetate (14062-20-5) + ethyl 2-(2-ethylphenyl)acetate (105337-78-8) + C12H16O2

Guidance literature:

ethylbenzene; With [Fe(OTf)₂(1-(2-pyridylmethyl)-4,7-dimethyl-1,4,7-triazacyclononane)]; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In dichloromethane; at 20 ℃; for 0.333333h;

diazoacetic acid ethyl ester; In dichloromethane; at 80 ℃; Overall yield = 70 %;

DOI:10.1002/anie.201601750

Reference yield:

ethanol (64-17-5) + (4-ethyl-phenyl)-acetic acid (14387-10-1) → ethyl (4-ethyl-phenyl)-acetate (14062-20-5)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1016/S0040-4020(01)82572-2

upstream raw materials:

(4-ethyl-phenyl)-acetic acid

ethanol

(4-ethyl-phenyl)-acetonitrile

sulfuric acid

Downstream raw materials:

2-(4'-ethylphenyl)ethanol

diethyl 4-ethylphenylmalonate

1-bromo-4-cyano-3-fluoro-5-(4-ethyl-benzyl)-benzene

1-bromo-4-cyano-3-methoxy-5-(4-ethyl-benzyl)-benzene