Pyridine, 2-(2-cyclohexen-1-ylthio)-

Base Information

• Chemical Name: Pyridine, 2-(2-cyclohexen-1-ylthio)-
• CAS No.: 112157-69-4
• Molecular Formula: C11H13NS
• Molecular Weight: 191.297
• DSSTox Substance ID: DTXSID40415891
• Mol file: 112157-69-4.mol

Synonyms:Pyridine, 2-(2-cyclohexen-1-ylthio)-;112157-69-4;DTXSID40415891

Chemical Property of Pyridine, 2-(2-cyclohexen-1-ylthio)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.07687059
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CC(C1)SC2=CC=CC=N2

Technology Process of Pyridine, 2-(2-cyclohexen-1-ylthio)-

There total 1 articles about Pyridine, 2-(2-cyclohexen-1-ylthio)- 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: 89.0%

2-Sulfanylpyridine (2637-34-5,73018-10-7) + cyclohex-2-enyl methyl carbonate (58329-99-0) → 3-(pyridyl-2-thio)-1-cyclohexene (112157-69-4)

Guidance literature:

With 1,4-di(diphenylphosphino)-butane; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tetrahydrofuran; at 60 ℃; for 12h;

DOI:10.1016/S0040-4039(00)74729-0

Reference yield: 22.0%

Sodium; 2-ethoxycarbonyl-cyclopent-1-enolate (57416-39-4) + 3-(pyridyl-2-thio)-1-cyclohexene (112157-69-4) → 2-(Cyclohex-2-enyloxy)-cyclopent-1-enecarboxylic acid ethyl ester (112157-77-4)

Guidance literature:

With hexacarbonyl molybdenum; In 1,4-dioxane; at 110 ℃; for 34h;

DOI:10.1016/S0040-4039(00)95751-4

Reference yield:

2-ethoxycarbonyl-1-cyclopentanone (611-10-9) + 3-(pyridyl-2-thio)-1-cyclohexene (112157-69-4) → 2-(2-cyclohexenyl)-2-(ethoxycarbonyl)cyclopentanone

Guidance literature:

With hexacarbonyl molybdenum; sodium hydride; Yield given. Multistep reaction; 1.) dioxane, 2.) dioxane, 34 h, reflux;

DOI:10.1246/bcsj.62.2913

upstream raw materials:

2-Sulfanylpyridine

cyclohex-2-enyl methyl carbonate

Downstream raw materials:

2-(Cyclohex-2-enyloxy)-cyclopent-1-enecarboxylic acid ethyl ester