2-[(Phenylsulfanyl)methyl]oxane

Base Information

• Chemical Name: 2-[(Phenylsulfanyl)methyl]oxane
• CAS No.: 110911-18-7
• Molecular Formula: C12H16OS
• Molecular Weight: 208.324
• DSSTox Substance ID: DTXSID80548536
• Nikkaji Number: J1.989.612I
• Mol file: 110911-18-7.mol

Synonyms:110911-18-7;2-[(Phenylsulfanyl)methyl]oxane;DTXSID80548536

Chemical Property of 2-[(Phenylsulfanyl)methyl]oxane

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 208.09218630
• Heavy Atom Count: 14
• Complexity: 154

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCOC(C1)CSC2=CC=CC=C2

Technology Process of 2-[(Phenylsulfanyl)methyl]oxane

There total 7 articles about 2-[(Phenylsulfanyl)methyl]oxane 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: 96.0%

5-Hexen-1-ol (821-41-0) + 4-Phenylsulfanyl-morpholine (4837-31-4) → 2-((phenylthio)methyl)tetrahydro-2H-pyran (110911-18-7)

Guidance literature:

With trifluorormethanesulfonic acid; In acetonitrile; at -20 ℃;

DOI:10.1039/c39870001280

Reference yield: 91.0%

5-Hexen-1-ol (821-41-0) + diphenyldisulfane (882-33-7) → 2-((phenylthio)methyl)tetrahydro-2H-pyran (110911-18-7)

Guidance literature:

With tetrabutylammomium bromide; In dichloromethane; Ambient temperature; electrolysed 0.02-0.03 A, 3 mA/cm²;

DOI:10.1016/S0040-4020(01)86141-X

Reference yield: 88.0%

5-Hexen-1-ol (821-41-0) + benzenesulfenyl chloride (931-59-9) → 2-((phenylthio)methyl)tetrahydro-2H-pyran (110911-18-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; 21 deg C, 0.5 h, then 21 deg C, 0.5 h;

upstream raw materials:

5-Hexen-1-ol

4-Phenylsulfanyl-morpholine

diphenyldisulfane

benzenesulfenyl chloride