4-Methylphenetole

Base Information

• Chemical Name: 4-Methylphenetole
• CAS No.: 622-60-6
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 2909309090
• European Community (EC) Number: 210-746-0
• NSC Number: 6259
• DSSTox Substance ID: DTXSID7060756
• Nikkaji Number: J46.551H
• Wikidata: Q63395681
• Mol file: 622-60-6.mol

Synonyms:4-Methylphenetole;622-60-6;1-Ethoxy-4-methylbenzene;p-Ethoxytoluene;Ethyl p-tolyl ether;Benzene, 1-ethoxy-4-methyl-;Phenetole, p-methyl-;p-Methylphenetole;4-Ethoxytoluene;METHYL-P-ETHYLPHENYL ETHER;NSC 6259;EINECS 210-746-0;AI3-24341;p-Ethoxy toluene;4-ethoxy-toluene;NSC6259;p-Methyl Phenetole;p-cresyl ethyl ether;PARA-METHYLPHENETOLE;1-ethoxy-4-methyl-benzene;SCHEMBL92159;DTXSID7060756;NSC-6259;AKOS006243090;FT-0659221;EN300-61852;A833683;Q63395681;Z53834228

Chemical Property of 4-Methylphenetole

Chemical Property:

• Vapor Pressure: 0.721mmHg at 25°C
• Melting Point: 139-141 °C
• Refractive Index: 1.491
• Boiling Point: 191.2 °C at 760 mmHg
• Flash Point: 70 °C
• PSA: 9.23000
• Density: 0.931 g/cm³
• LogP: 2.39370
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 82.7

Purity/Quality:

99.5% ^*data from raw suppliers

4-METHYLPHENETOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C

Technology Process of 4-Methylphenetole

There total 39 articles about 4-Methylphenetole 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: 95.0%

diethyl sulfate (64-67-5) + p-cresol (106-44-5) → 1-ethoxy-4-methylbenzene (622-60-6)

Guidance literature:

With sodium hydroxide; N-butyl-N,N-dimethyl-(α-phenyl)ethylammonium bromide; In 1,2-dichloro-ethane; for 6h; Heating;

DOI:10.1081/SCC-120006462

Reference yield: 94.0%

ethyl bromide (74-96-4) + p-cresol (106-44-5) → 1-ethoxy-4-methylbenzene (622-60-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; toluene; at 60 ℃; for 2.5h; Large scale;

Reference yield: 90.0%

ethyl bromide (74-96-4) + para-bromotoluene (106-38-7) → 1-ethoxy-4-methylbenzene (622-60-6)

Guidance literature:

para-bromotoluene; With copper(l) iodide; 2-methyl-8-quinolinol; tetra(n-butyl)ammonium hydroxide; In water; dimethyl sulfoxide; at 130 ℃;

ethyl bromide; With tetra(n-butyl)ammonium hydroxide; In water; dimethyl sulfoxide; at 100 ℃;

DOI:10.1055/s-0030-1258965

upstream raw materials:

ethyl bromide

p-cresol

ethanol

p-toluidine hydrochloride

Downstream raw materials:

triphenylmethane

2,2-bis-(2-ethoxy-5-methyl-phenyl)-1,1,1-trichloro-ethane

2-ethoxy-5-methylbenzaldehyde

2,6-dinitro-p-cresol

Refernces

• 1、 Liu, Wenbo,Li, Jianbin,Querard, Pierre,Li, Chao-Jun. "Transition-Metal-Free C-C, C-O, and C-N Cross-Couplings Enabled by Light". supporting information. p. 6755 - 6764. Retrieved 2019/05/06.
• 2、 -. "Synthetic method for dapagliflozin". Paragraph 0015. . Retrieved 2018/03/26.