[(Trifluoromethanesulfonyl)ethynyl]cyclohexane

Base Information

• Chemical Name: [(Trifluoromethanesulfonyl)ethynyl]cyclohexane
• CAS No.: 119353-22-9
• Molecular Formula: C₉H₁₁F₃O₂S
• Molecular Weight: 240.246
• DSSTox Substance ID: DTXSID30557673
• Wikidata: Q82439642
• Mol file: 119353-22-9.mol

Synonyms:119353-22-9;[(Trifluoromethanesulfonyl)ethynyl]cyclohexane;DTXSID30557673

Chemical Property of [(Trifluoromethanesulfonyl)ethynyl]cyclohexane

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 240.04318525
• Heavy Atom Count: 15
• Complexity: 371

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C#CS(=O)(=O)C(F)(F)F

Technology Process of [(Trifluoromethanesulfonyl)ethynyl]cyclohexane

There total 1 articles about [(Trifluoromethanesulfonyl)ethynyl]cyclohexane 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:

trifluoromethylsulfonic anhydride (358-23-6) + 2-cyclohexylacetylene (931-48-6) → (((trifluoromethyl)sulfonyl)ethynyl)cyclohexane (119353-22-9)

Guidance literature:

With sodium; Yield given. Multistep reaction; 1.) ether, r.t., 3 d, 2.) -78 deg C --> r.t.;

DOI:10.1055/s-1988-27646

Reference yield: 94.0%

(((trifluoromethyl)sulfonyl)ethynyl)cyclohexane (119353-22-9) + dimethyl sulfoxide (67-68-5,8070-53-9) → C11H17F3O3S2 (121290-16-2)

Guidance literature:

Ambient temperature;

Reference yield: 34.0%

2-(3-(allylsulfonyl)-3-methylbutyl)isoindoline-1,3-dione + (((trifluoromethyl)sulfonyl)ethynyl)cyclohexane (119353-22-9) → 2-(5-cyclohexyl-3,3-dimethylpent-4-yn-1-yl)isoindoline-1,3-dione

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In chloroform; at 85 ℃; for 48h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201903668

upstream raw materials:

trifluoromethylsulfonic anhydride

2-cyclohexylacetylene

Downstream raw materials:

C₁₁H₁₇F₃O₃S₂