(4-Ethylphenyl)acetic acid

Base Information

• Chemical Name: (4-Ethylphenyl)acetic acid
• CAS No.: 14387-10-1
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2916399090
• European Community (EC) Number: 802-180-3
• DSSTox Substance ID: DTXSID30162564
• Nikkaji Number: J136.975J
• Wikidata: Q83031259
• Mol file: 14387-10-1.mol

Synonyms:(4-ethylphenyl)acetic acid;14387-10-1;2-(4-ethylphenyl)acetic acid;Benzeneacetic acid, 4-ethyl-;4-Ethylphenylacetic acid;2-(4-Ethylphenyl)aceticacid;4-Ethylbenzeneacetic acid;Benzeneacetic acid,4-ethyl-;(p-Ethylphenyl)acetic acid;SCHEMBL156207;(4-Ethyl-phenyl)-acetic acid;DTXSID30162564;benzamide,4-chloro-n-2-pyridinyl-;Essigsaure-[athyl-4-phenyl]-ester;MFCD00605330;STL195413;AKOS000295880;BS-3885;BB 0222337;CS-0446605;FT-0683510;EN300-84769;Z274782844

Chemical Property of (4-Ethylphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 289.2 °C at 760 mmHg
• PKA: pK1:4.373 (25°C)
• Flash Point: 186.4 °C
• PSA: 37.30000
• Density: 1.096 g/cm³
• LogP: 1.87610
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

(4-Ethylphenyl)aceticAcid ^*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)O
• Uses: (4-Ethylphenyl)acetic acid is a reagent used in the synthesis of p-Ethylhydratropic Acid (E918820), which is an impurity of ibuprofen (I140000).

Technology Process of (4-Ethylphenyl)acetic acid

There total 19 articles about (4-Ethylphenyl)acetic acid 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%

4-vinylbenzeneacetic acid (46122-65-0) → (4-ethyl-phenyl)-acetic acid (14387-10-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; at 20 ℃; for 3h; under 2280 Torr;

DOI:10.1016/j.jorganchem.2004.06.052

Reference yield: 84.0%

carbon monoxide (201230-82-2) + 4-ethylbenzylchloride (1467-05-6) → (4-ethyl-phenyl)-acetic acid (14387-10-1)

Guidance literature:

carbon monoxide; With C₂₈H₂₂CoN₄O₆; In butan-1-ol; at 60 ℃; for 2h; under 760.051 Torr; Glovebox; High pressure; Green chemistry;

4-ethylbenzylchloride; With tetra-(n-butyl)ammonium iodide; sodium hydroxide; In butan-1-ol; at 60 ℃; for 22h; under 760.051 Torr; regioselective reaction; Glovebox; High pressure; Green chemistry;

DOI:10.1016/j.tet.2013.06.083

Reference yield: 81.0%

2-chloro-1-(4-ethylphenyl)ethan-1-one (50690-09-0) → 4-ethylacetophenone (937-30-4) + (4-ethyl-phenyl)-acetic acid (14387-10-1) + 1,4-bis(4-ethylphenyl)butane-1,4-dione

Guidance literature:

With methyloxirane; In water; acetonitrile; for 4h; Irradiation;

DOI:10.1016/S0040-4020(97)10081-3

upstream raw materials:

1-allyl-4-ethylbenzene

(rac)-2-(4-ethylphenyl)-2-hydroxyacetic acid

(4-ethyl-phenyl)-acetonitrile

ethyl 2-(4-ethylphenyl)-2-hydroxyacetate

Downstream raw materials:

(4-ethyl-phenyl)-acetic acid dodecyl ester

2-(4'-ethylphenyl)ethanol

ethyl (4-ethyl-phenyl)-acetate

(4-Ethyl-phenyl)-acetic acid methyl ester