4-Phenylbut-3-yn-1-yl trifluoromethanesulfonate

Base Information

Chemical Name:4-Phenylbut-3-yn-1-yl trifluoromethanesulfonate
CAS No.:87639-40-5
Molecular Formula:C11H9F3O3S
Molecular Weight:278.252
Hs Code.:
DSSTox Substance ID:DTXSID30527452
Wikidata:Q82396659

Synonyms:4-Phenylbut-3-yn-1-yl trifluoromethanesulfonate;87639-40-5;SCHEMBL3790838;DTXSID30527452;UBVHSWGJIPLIKD-UHFFFAOYSA-N

Suppliers and Price of 4-Phenylbut-3-yn-1-yl trifluoromethanesulfonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 4-Phenylbut-3-yn-1-yl trifluoromethanesulfonate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:278.02244980
Heavy Atom Count:18
Complexity:416

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CCCOS(=O)(=O)C(F)(F)F

Technology Process of 4-Phenylbut-3-yn-1-yl trifluoromethanesulfonate

There total 2 articles about 4-Phenylbut-3-yn-1-yl trifluoromethanesulfonate 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: 95.0%

: 358-23-6
trifluoromethylsulfonic anhydride

: 10229-11-5
4-phenyl-but-3-yn-1-ol

: 87639-40-5
4-phenyl-3-butyn-1-yl trifluoromethanesulfonate

Guidance literature:: With 2,6-dimethylpyridine; In dichloromethane; at -78 ℃; for 2h; Schlenk technique;
DOI:10.1055/s-0035-1561407

Reference yield:

: 591-50-4
iodobenzene

: 87639-40-5
4-phenyl-3-butyn-1-yl trifluoromethanesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; triethylamine / 12 h / 20 °C / Inert atmosphere

2: pyridine / dichloromethane / 0.5 h / 0 °C / Inert atmosphere

With pyridine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In dichloromethane;
DOI:10.1002/adsc.201100922