2-Oxo-2-phenylethyl trifluoromethanesulfonate

Base Information

• Chemical Name: 2-Oxo-2-phenylethyl trifluoromethanesulfonate
• CAS No.: 62861-51-2
• Molecular Formula: C9H7F3O4S
• Molecular Weight: 268.213
• DSSTox Substance ID: DTXSID40459179
• Nikkaji Number: J1.629.867K
• Wikidata: Q82282853

Synonyms:2-Oxo-2-phenylethyl trifluoromethanesulfonate;62861-51-2;SCHEMBL5702476;DTXSID40459179;LUXQYQRFOCNBKQ-UHFFFAOYSA-N;Trifluoromethanesulfonic acid phenacyl ester

Chemical Property of 2-Oxo-2-phenylethyl trifluoromethanesulfonate

Chemical Property:

• PSA: 68.82000
• LogP: 2.81630
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 268.00171436
• Heavy Atom Count: 17
• Complexity: 363

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Oxo-2-phenylethyl trifluoromethanesulfonate

There total 8 articles about 2-Oxo-2-phenylethyl 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: 83.0%

trifluorormethanesulfonic acid (1493-13-6) + acetophenone (98-86-2) → phenacyl trifluoromethanesulfonate (62861-51-2)

Guidance literature:

trifluorormethanesulfonic acid; With thallium(I) nitrate; In acetonitrile; at 20 ℃; for 0.166667h;

acetophenone; In dichloromethane; Heating;

DOI:10.1081/SCC-120026318

Reference yield: 70.0%

1-styrenyloxytrimethylsilane (13735-81-4) + trimethylsilyl trifluoromethanesulfonate (27607-77-8) → phenacyl trifluoromethanesulfonate (62861-51-2)

Guidance literature:

With iodosylbenzene; In dichloromethane; -78 deg C to room temp. 2.5 h;

DOI:10.1016/S0040-4039(01)80277-X

Reference yield: 30.0%

1-styrenyloxytrimethylsilane (13735-81-4) + oxy>iodo>benzene (131170-47-3) → phenacyl trifluoromethanesulfonate (62861-51-2) + phenacylacetophenone (495-71-6)

Guidance literature:

DOI:10.1016/S0040-4039(00)97741-4

upstream raw materials:

trifluorormethanesulfonic acid

2-diazo-acetophenone

1-styrenyloxytrimethylsilane

trimethylsilyl trifluoromethanesulfonate

Downstream raw materials:

2-fluoroacetophenone

2-[(R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-1-phenyl-ethanone

2,4,4,4-tetrafluoro-1-phenylbutane-1,3-dione

(S)-5-[(R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxymethyl]-5-phenylimidazolidine-2,4-dione

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