2-(2-Methylphenyl)-1,3-oxathiane

Base Information

• Chemical Name: 2-(2-Methylphenyl)-1,3-oxathiane
• CAS No.: 138470-24-3
• Molecular Formula: C11H14OS
• Molecular Weight: 194.298
• DSSTox Substance ID: DTXSID10577399
• Nikkaji Number: J438.954I
• Mol file: 138470-24-3.mol

Synonyms:2-(2-Methylphenyl)-1,3-oxathiane;138470-24-3;DTXSID10577399;AKOS006279395

Chemical Property of 2-(2-Methylphenyl)-1,3-oxathiane

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.07653624
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2OCCCS2

Technology Process of 2-(2-Methylphenyl)-1,3-oxathiane

There total 1 articles about 2-(2-Methylphenyl)-1,3-oxathiane 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: 79.0%

3-sulfanylpropanol (19721-22-3) + 2-methylphenyl aldehyde (529-20-4) → 2-o-Tolyl-[1,3]oxathiane (138470-24-3)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; for 2h; Heating;

DOI:10.1002/ardp.2503241211

Reference yield:

(2-chloro-1-methyl-ethyl)-dimethyl-amine (53309-35-6) + 2-o-Tolyl-[1,3]oxathiane (138470-24-3) → Dimethyl-[1-methyl-2-(2-o-tolyl-[1,3]oxathian-2-yl)-ethyl]-amine (138851-20-4)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1) THF, hexane, -40 deg C, 1-2 h, 2) 3-4 h, room temperature, THF;

DOI:10.1002/ardp.2503241211

upstream raw materials:

3-sulfanylpropanol

2-methylphenyl aldehyde

Downstream raw materials:

Dimethyl-[1-methyl-2-(2-o-tolyl-[1,3]oxathian-2-yl)-ethyl]-amine