1-Oxo-1-phenylpropan-2-yl trifluoromethanesulfonate

Base Information

• Chemical Name: 1-Oxo-1-phenylpropan-2-yl trifluoromethanesulfonate
• CAS No.: 91190-30-6
• Molecular Formula: C10H9F3O4S
• Molecular Weight: 282.24
• DSSTox Substance ID: DTXSID90557992
• Nikkaji Number: J1.982.846H
• Mol file: 91190-30-6.mol

Synonyms:1-Oxo-1-phenylpropan-2-yl trifluoromethanesulfonate;91190-30-6;SCHEMBL10712444;DTXSID90557992;RAPUBLCUPBLTSP-UHFFFAOYSA-N

Chemical Property of 1-Oxo-1-phenylpropan-2-yl trifluoromethanesulfonate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 282.01736442
• Heavy Atom Count: 18
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Oxo-1-phenylpropan-2-yl trifluoromethanesulfonate

There total 4 articles about 1-Oxo-1-phenylpropan-2-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: 82.0%

trifluorormethanesulfonic acid (1493-13-6) + 1-phenyl-propan-1-one (93-55-0) → Trifluoro-methanesulfonic acid 1-methyl-2-oxo-2-phenyl-ethyl ester (91190-30-6)

Guidance literature:

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

1-phenyl-propan-1-one; In dichloromethane; Heating;

DOI:10.1081/SCC-120026318

Reference yield: 81.0%

trifluoromethylsulfonic anhydride (358-23-6) + 2-hydroxypropiophenone (5650-40-8) → Trifluoro-methanesulfonic acid 1-methyl-2-oxo-2-phenyl-ethyl ester (91190-30-6)

Guidance literature:

With 2,6-dimethylpyridine; In dichloromethane; at 5 ℃;

DOI:10.1021/ja00331a029

Reference yield: 77.0%

1-phenyl-1-trimethylsiloxypropene (37471-46-8) + trimethylsilyl trifluoromethanesulfonate (27607-77-8) → Trifluoro-methanesulfonic acid 1-methyl-2-oxo-2-phenyl-ethyl ester (91190-30-6)

Guidance literature:

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

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

upstream raw materials:

1-phenyl-1-trimethylsiloxypropene

trimethylsilyl trifluoromethanesulfonate

trifluoromethylsulfonic anhydride

2-hydroxypropiophenone

Downstream raw materials:

1-phenyl-2-(formyloxy)propanone

2-ethoxy-1-phenyl-propan-1-one

acetic acid 1-methyl-2-oxo-2-phenyl-ethyl ester