4-Ethylphenetole

Base Information

• Chemical Name: 4-Ethylphenetole
• CAS No.: 1585-06-4
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 2909309090
• European Community (EC) Number: 216-438-2
• UNII: AJ8TDS5TFC
• DSSTox Substance ID: DTXSID60166434
• Nikkaji Number: J7.520E
• Wikidata: Q83035618
• Mol file: 1585-06-4.mol

Synonyms:4-Ethylphenetole;1585-06-4;1-Ethoxy-4-ethylbenzene;p-Ethylphenetole;Benzene, 1-ethoxy-4-ethyl-;AJ8TDS5TFC;EINECS 216-438-2;4-Athyl-phenetol;4-Ethyl phenetol;p - ethylphenetole;UNII-AJ8TDS5TFC;4-ETHOXYETHYLBENZENE;1-Ethoxy-4-ethylbenzene #;SCHEMBL31423;DTXSID60166434;BAA58506;MFCD00191432;AKOS008948206;BS-53380;CS-0152508;E0435;FT-0657875;D90515;A809934

Chemical Property of 4-Ethylphenetole

Chemical Property:

• Vapor Pressure: 0.266mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 211.4 °C at 760 mmHg
• Flash Point: 82.3 °C
• PSA: 9.23000
• Density: 0.922 g/cm³
• LogP: 2.64770
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 93

Purity/Quality:

98% ^*data from raw suppliers

4-Ethylphenetole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Ethylphenetole

There total 10 articles about 4-Ethylphenetole 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: 99.0%

1-(4-ethoxyphenyl)ethyl alcohol (116071-56-8,52067-36-4,225920-04-7) → 1-ethoxy-4-ethylbenzene (1585-06-4)

Guidance literature:

With hydrogen; In ethanol; at 120 ℃; for 8h; under 15001.5 Torr; chemoselective reaction;

DOI:10.1039/d1sc06430d

Reference yield: 76.0%

4-Ethylphenol (123-07-9) + ethyl iodide (75-03-6) → 1-ethoxy-4-ethylbenzene (1585-06-4)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux;

DOI:10.1055/s-0036-1588429

Reference yield: 55.0%

4-ethoxystyrene (5459-40-5) → 1-ethoxy-4-ethylbenzene (1585-06-4)

Guidance literature:

With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In methanol; water; at 20 ℃; for 24h; Irradiation;

DOI:10.1021/acscatal.1c01000

upstream raw materials:

4-Ethylphenol

4-ethoxystyrene

ethanol

phenol

Downstream raw materials:

4'-ethoxyacetophenone

Refernces

• 1、 Czyz, Milena L.,Taylor, Mitchell S.,Horngren, Tyra H.,Polyzos, Anastasios. "Reductive activation and hydrofunctionalization of olefins by multiphoton tandem photoredox catalysis". . p. 5472 - 5480. Retrieved 2021/06/01.
• 2、 Anbu, Nagaraj,Dhakshinamoorthy, Amarajothi. "Cu3(BTC)2 metal organic framework as heterogeneous solid catalyst for the reduction of styrenes with silane as reducing agent". . . Retrieved 2019/08/12.