Phenetole

Base Information

• Chemical Name: Phenetole
• CAS No.: 103-73-1
• Molecular Formula: C8H10O
• Molecular Weight: 122.167
• Hs Code.: 2909309090
• European Community (EC) Number: 203-139-7
• NSC Number: 406706
• UNII: RB8LU2C57F
• DSSTox Substance ID: DTXSID7059278
• Nikkaji Number: J5.020B
• Wikipedia: Ethyl_phenyl_ether
• Wikidata: Q419340
• Metabolomics Workbench ID: 64931
• ChEMBL ID: CHEMBL499585
• Mol file: 103-73-1.mol

Synonyms:ethoxybenzene;ethyl phenyl ether;phenetole

Chemical Property of Phenetole

Chemical Property:

• Appearance/Colour: clear colourless to very slightly yellow liquid
• Vapor Pressure: 2.01mmHg at 25°C
• Melting Point: - 30 °C(lit.)
• Refractive Index: n20/D 1.507(lit.)
• Boiling Point: 169.8 °C at 760 mmHg
• Flash Point: 55 °C
• PSA: 9.23000
• Density: 0.94 g/cm³
• LogP: 2.08530
• Water Solubility.: PRACTICALLY INSOLUBLE
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 122.073164938
• Heavy Atom Count: 9
• Complexity: 65

Purity/Quality:

99% , ^*data from raw suppliers

Safty Information:

• Pictogram(s): F, C
• Hazard Codes: F, C
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Ethers, Other
• Canonical SMILES: CCOC1=CC=CC=C1

Technology Process of Phenetole

There total 177 articles about Phenetole 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: 63.0%

ethyl trimethylsilyl ether (1825-62-3) + benzenediazonium tetrafluoroborate (369-57-3) → triethyl borate (150-46-9) + trimethylsilyl fluoride (420-56-4) + Phenetole (103-73-1)

Guidance literature:

In 1,1,2-Trichloro-1,2,2-trifluoroethane; 1.) 0 to 55 deg C very slowly, 2.) sonication, reflux, 16-17 h;

DOI:10.1055/s-1991-26419

Reference yield: 52.0%

2-(2-Phenoxy-ethylazo)-prop-2-yl-hydroperoxide (87841-77-8) + ethyl vinyl ether (109-92-2,25104-37-4) → chromane (493-08-3) + 2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) + propoxybenzene (622-85-5) + 4-phenoxybutyraldehyde (19790-62-6) + 5-Phenoxypentanal (87841-94-9) + Phenetole (103-73-1)

Guidance literature:

at 50 ℃; Mechanism;

DOI:10.1021/jo00176a023

Reference yield: 28.0%

ethyl 2-methoxyethyl carbonate (99116-09-3) + phenol (108-95-2,27073-41-2) → 2-methoxyethyl phenyl ether (41532-81-4) + Phenetole (103-73-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 180 ℃; for 24h; Autoclave;

DOI:10.1002/ejoc.201200321

upstream raw materials:

bis(phenyl) carbonate

sodium ethanolate

diethyl sulfate

sodium phenoxide

Downstream raw materials:

4-oxo-4-(4-ethoxyphenyl)butanoic acid

bis-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-ketone

p-cyclohexylphenetole

naphthalene

Refernces

• 1、 Roe,Graham. "-". . p. 6297. Retrieved 1952.
• 2、 Sad,Duarte,Padró,Apesteguía. "Selective synthesis of p-ethylphenol by gas-phase alkylation of phenol with ethanol". . p. 77 - 84. Retrieved 2014.
• 3、 Noller,Dutton. "-". . p. 424. Retrieved 1933.
• 4、 Kharasch et al.. "". . p. 575,576, 578. Retrieved 1953.
• 5、 Chesnokov,Chichkan,Paukshtis,Chesalov, Yu. A.,Krasnov. "Hexadecane Conversion on an Alumina–Nickel Catalyst". . p. 439 - 445. Retrieved 2019.
• 6、 Chan, Michael,Lao, Fitzgerald S.,Chu, Paul J.,Shpigelman, Jonathan,Yao, Shiyin,Nan, Jason,Sato-Kaneko, Fumi,Li, Vicky,Hayashi, Tomoko,Corr, Maripat,Carson, Dennis A.,Cottam, Howard B.,Shukla, Nikunj M.. "Structure-Activity Relationship Studies to Identify Affinity Probes in Bis-aryl Sulfonamides That Prolong Immune Stimuli". . p. 9521 - 9540. Retrieved 2019.
• 7、 Bacon,R.G.R.,Rennison,S.C.. "-". . p. 312 - 315. Retrieved 1969.
• 8、 Kaleeswari, Kalairajan,Tamil Selvi, Arunachalam. "Selective hydrogenation of substituted styrene to alkylbenzene catalyzed by Al2O3 nanoparticles". . . Retrieved 2022/01/22.
• 9、 -. "N-ARYL SULFONAMIDE DERIVATIVES AS VACCINE ADJUVANT". Page/Page column 101-102. . Retrieved 2021/02/26.