2-Cyclohexyl-1,3-dithiolane

Base Information

• Chemical Name: 2-Cyclohexyl-1,3-dithiolane
• CAS No.: 70777-60-5
• Molecular Formula: C9H16S2
• Molecular Weight: 188.358
• DSSTox Substance ID: DTXSID80449211
• Nikkaji Number: J1.091.890A
• Wikidata: Q82268608
• Mol file: 70777-60-5.mol

Synonyms:2-cyclohexyl-1,3-dithiolane;1,3-Dithiolane, 2-cyclohexyl-;70777-60-5;2-cyclohexyl-[1,3]dithiolane;SCHEMBL1037917;DTXSID80449211

Chemical Property of 2-Cyclohexyl-1,3-dithiolane

Chemical Property:

• PSA: 50.60000
• LogP: 3.37280
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.06934286
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2SCCS2

Technology Process of 2-Cyclohexyl-1,3-dithiolane

There total 5 articles about 2-Cyclohexyl-1,3-dithiolane 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: 100.0%

ethane-1,2-dithiol (540-63-6) + cyclohexanecarbaldehyde (2043-61-0) → Cyclohexancarboxaldehyde dithioethyleneacetal (70777-60-5)

Guidance literature:

With zeolite HSZ-360; In dichloromethane; for 15h; Ambient temperature;

DOI:10.1080/00397919908086030

Reference yield: 78.0%

2-trimethylsilyl-1-oxaspiro<2.5>octane (63830-87-5) + ethane-1,2-dithiol (540-63-6) → Cyclohexancarboxaldehyde dithioethyleneacetal (70777-60-5)

Guidance literature:

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

DOI:10.1016/S0040-4020(01)88585-9

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → Cyclohexancarboxaldehyde dithioethyleneacetal (70777-60-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) sec-BuLi, TMEDA / 1.) cyclohexane, THF, -78 deg C, 0.5 h at -55 deg C, 2.) -50 deg C, warmed to 20 deg C over 3 h

2: 78 percent / p-toluenesulfonic acid monohydrate / benzene / 2 h / Heating

With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; toluene-4-sulfonic acid; In benzene;

DOI:10.1016/S0040-4020(01)88585-9

upstream raw materials:

chloroform

2-Cyclohexyl-1,3,2-dithiaborolane

2-trimethylsilyl-1-oxaspiro<2.5>octane

ethane-1,2-dithiol

Downstream raw materials:

cyclohexanecarbaldehyde

cyclohexylmethylene diacetate