4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one

Base Information

• Chemical Name: 4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one
• CAS No.: 731-00-0
• Molecular Formula: C11H8F6O2
• Molecular Weight: 286.174
• Hs Code.: 2914409000
• DSSTox Substance ID: DTXSID30473844
• Nikkaji Number: J1.675.604K
• Wikidata: Q82303494
• Mol file: 731-00-0.mol

Synonyms:731-00-0;4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one;4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butyrophenone;SCHEMBL4818335;DTXSID30473844;VRLJBWKYHRJXGK-UHFFFAOYSA-N;MFCD08741390;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl) butyrophenone;3-Hydroxy-1-phenyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-one;1-Butanone, 4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-?;4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butyrophenone,97% min.

Chemical Property of 4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one

Chemical Property:

• Vapor Pressure: 0.000244mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 311.3°C at 760 mmHg
• PKA: 8.95±0.29(Predicted)
• Flash Point: 142.1°C
• PSA: 37.30000
• Density: 1.425g/cm³
• LogP: 3.11510
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 286.04284847
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butyrophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one

There total 9 articles about 4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one 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: 91.0%

4,4,4-Trifluoro-1-phenyl-3-trifluoromethyl-3-trimethylsilanyloxy-butan-1-one (143211-22-7) → 4,4,4-trifluoro-3-hydroxy-3-methyl-1-phenyl-3-trifluoromethylbutan-1-one (731-00-0)

Guidance literature:

With hydrogenchloride; In methanol; for 4h; Ambient temperature;

DOI:10.1002/prac.19923340304

Reference yield: 86.0%

acetophenone (98-86-2) + Hexafluoroacetone (684-16-2) → 4,4,4-trifluoro-3-hydroxy-3-methyl-1-phenyl-3-trifluoromethylbutan-1-one (731-00-0)

Guidance literature:

at 160 ℃; for 120h; Sealed autoclave;

Reference yield: 56.0%

1-styrenyloxytrimethylsilane (13735-81-4) + Hexafluoroacetone (684-16-2) → 4,4,4-trifluoro-3-hydroxy-3-methyl-1-phenyl-3-trifluoromethylbutan-1-one (731-00-0)

Guidance literature:

With tin(IV) chloride; In tetrahydrofuran; at -35 - -30 ℃;

DOI:10.1016/S0022-1139(00)81485-2

upstream raw materials:

1,1,1-trifluoro-4-phenyl-2-(trifluoromethyl)but-3-yn-2-ol

4,4,4-Trifluoro-1-phenyl-3-trifluoromethyl-3-trimethylsilanyloxy-butan-1-one

1-styrenyloxytrimethylsilane

Hexafluoroacetone

Downstream raw materials:

1-phenyl-4,4,4-trifluoro-3-(trifluoromethyl)butane-l,3-diol

1-cyclohexyl-4,4,4-trifluoro-3-(trifluoromethyl)butane-l,3-diol

4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)but-2-en-1-one