Benzene, [2-(methylthio)ethoxy]-

Base Information

• Chemical Name: Benzene, [2-(methylthio)ethoxy]-
• CAS No.: 65199-13-5
• Molecular Formula: C9H12OS
• Molecular Weight: 168.26
• DSSTox Substance ID: DTXSID00407530
• Nikkaji Number: J3.104.298D
• Wikidata: Q82212825
• Mol file: 65199-13-5.mol

Synonyms:Benzene, [2-(methylthio)ethoxy]-;[2-(Methylthio)ethoxy]benzene;65199-13-5;SCHEMBL11285757;DTXSID00407530;AKOS024324157

Chemical Property of Benzene, [2-(methylthio)ethoxy]-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 168.06088618
• Heavy Atom Count: 11
• Complexity: 89.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCOC1=CC=CC=C1

Technology Process of Benzene, [2-(methylthio)ethoxy]-

There total 9 articles about Benzene, [2-(methylthio)ethoxy]- 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: 83.0%

2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) + phenoxyethyl bromide (589-10-6) → 1-[2-(methylsulfanyl)ethoxy]benzene (65199-13-5)

Guidance literature:

2-methylisothiourea sulphate; With potassium hydroxide; In methanol; at 20 ℃; for 0.166667h;

phenoxyethyl bromide; In methanol; for 0.5h;

DOI:10.1055/s-2003-39401

Reference yield: 58.0%

ethyl 2-(methylthio)ethyl carbonate (1391906-39-0) + phenol (108-95-2,27073-41-2) → 1-[2-(methylsulfanyl)ethoxy]benzene (65199-13-5) + Phenetole (103-73-1)

Guidance literature:

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

DOI:10.1002/ejoc.201200321

Reference yield:

dimethyl-(2-phenoxy-ethyl)-sulfonium; iodide (6307-04-6) → dimethylsulfide (75-18-3) + 1-[2-(methylsulfanyl)ethoxy]benzene (65199-13-5) + acetylene (74-86-2,25067-58-7) + phenol (108-95-2,27073-41-2)

Guidance literature:

DOI:10.1021/ja01187a077 DOI:10.1039/jr9470000766

upstream raw materials:

sulfure de methyle et de 2-chloroethyle

sodium phenoxide

dimethyl-(2-phenoxy-ethyl)-sulfonium; iodide

thirane

Downstream raw materials:

dimethyl-(2-phenoxy-ethyl)-sulfonium; iodide

(2-methanesulfinyl-ethoxy)-benzene

(2-methanesulfonyl-ethoxy)-benzene

phenol