Methanesulfonic acid, trifluoro-, 1-phenylethenyl ester

Base Information

• Chemical Name: Methanesulfonic acid, trifluoro-, 1-phenylethenyl ester
• CAS No.: 28143-79-5
• Molecular Formula: C9H7F3O3S
• Molecular Weight: 252.214
• DSSTox Substance ID: DTXSID70458418
• Nikkaji Number: J352.680A
• Wikidata: Q82281682
• Mol file: 28143-79-5.mol

Synonyms:Methanesulfonic acid, trifluoro-, 1-phenylethenyl ester;28143-79-5;DTXSID70458418;GJOJDWJQGXPCPJ-UHFFFAOYSA-N;alpha-(Trifluoromethylsulfonyloxy)styrene

Chemical Property of Methanesulfonic acid, trifluoro-, 1-phenylethenyl ester

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 252.00679974
• Heavy Atom Count: 16
• Complexity: 347

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

Technology Process of Methanesulfonic acid, trifluoro-, 1-phenylethenyl ester

There total 17 articles about Methanesulfonic acid, trifluoro-, 1-phenylethenyl ester 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: 99.0%

trifluorormethanesulfonic acid (1493-13-6) + phenylacetylene (536-74-3) → 1-phenyl vinyl triflate (28143-79-5)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; triphenylphosphine; In 1,2-dichloro-ethane; at 70 ℃; for 1.5h; regioselective reaction;

DOI:10.1002/cctc.201300228

Reference yield: 63.0%

trifluoromethylsulfonic anhydride (358-23-6) + acetophenone (98-86-2) → 1-phenyl vinyl triflate (28143-79-5)

Guidance literature:

With 2,6-di-tert-butyl-4-methylpyridine; In dichloromethane; at 0 - 20 ℃; for 16h;

DOI:10.1002/anie.201608507

Reference yield: 2.5%

2,4,6-trimethyl-pyridine (108-75-8) + 1-styrenyloxytrimethylsilane (13735-81-4) + trifluoromethylsulfonic anhydride (358-23-6) → 1,1,1,6,6,6-hexafluoro-3,4-bis(trimethylsilyloxy)-3,4-diphenylhexane (1138247-10-5) + 1,1,1,6,6,6-hexafluoro-3,4-bis(trimethylsilyloxy)-3,4-diphenylhexane + C9H10F3NO2S (1240563-18-1) + 3,3,3-trifluoro-1-phenylpropan-1-one (709-21-7) + 1-phenyl vinyl triflate (28143-79-5)

Guidance literature:

In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/j.jfluchem.2010.02.012

upstream raw materials:

trifluoromethylsulfonic anhydride

acetophenone

trifluorormethanesulfonic acid

phenylacetylene

Downstream raw materials:

2,4-diphenylbut-1-en-3-yne

2-butoxy-3-phenyl-1,3-butadiene

1,1-Diphenylethylene

1-phenyl-1-iodoethylene