2-Propanone, 1,1,1-trifluoro-3,3-diphenyl-

Base Information

• Chemical Name: 2-Propanone, 1,1,1-trifluoro-3,3-diphenyl-
• CAS No.: 185031-04-3
• Molecular Formula: C15H11F3O
• Molecular Weight: 264.247
• DSSTox Substance ID: DTXSID20455912
• Nikkaji Number: J888.858B
• Wikidata: Q82278074
• Mol file: 185031-04-3.mol

Synonyms:185031-04-3;2-Propanone, 1,1,1-trifluoro-3,3-diphenyl-;1,1,1-TRIFLUORO-3,3-DIPHENYLPROPAN-2-ONE;DTXSID20455912;1,1,1-Trifluoro-3,3-diphenyl-2-propanone;EN300-1868181

Chemical Property of 2-Propanone, 1,1,1-trifluoro-3,3-diphenyl-

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 264.07619946
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

99% ^*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(C2=CC=CC=C2)C(=O)C(F)(F)F

Technology Process of 2-Propanone, 1,1,1-trifluoro-3,3-diphenyl-

There total 8 articles about 2-Propanone, 1,1,1-trifluoro-3,3-diphenyl- 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: 87.0%

3,3,3-trifluoro-2-methoxy-1,2-diphenylpropanol (197386-33-7) → 1,1,1-Trifluoro-3,3-diphenylpropan-2-one (185031-04-3)

Guidance literature:

With sulfuric acid; In benzene; for 0.5h; Ambient temperature;

DOI:10.1016/S0022-1139(97)00031-6

Reference yield: 55.0%

ethyl trifluoroacetate, (383-63-1) + 2,2-diphenylacetic acid (117-34-0) → 1,1,1-Trifluoro-3,3-diphenylpropan-2-one (185031-04-3)

Guidance literature:

2,2-diphenylacetic acid; With lithium diisopropyl amide; In tetrahydrofuran; cyclohexane; at -20 - 20 ℃;

ethyl trifluoroacetate,; In tetrahydrofuran; cyclohexane; at -65 ℃; for 0.25h;

With hydrogenchloride; In tetrahydrofuran; cyclohexane; water;

DOI:10.1021/jo801737c

Reference yield:

C24H15F9O3S → 2,2,2-Trifluoroacetophenone (434-45-7) + 2-Phenyl-4,4-bis-trifluoromethyl-4H-3-oxa-1-thia-naphthalene + 3,3-Bis-trifluoromethyl-3H-benzo[c][1,2]oxathiole 1-oxide + 1,1,1-Trifluoro-3,3-diphenylpropan-2-one (185031-04-3) + (2S,3S)-2,3-Diphenyl-2-trifluoromethyl-oxirane + 2-Phenyl-4,4-bis-trifluoromethyl-4H-3-oxa-1-thia-naphthalene 1-oxide

Guidance literature:

In chloroform-d1; at 120 ℃; for 3.5h; Mechanism; Product distribution; other 1,2λ⁶-oxathietane;

DOI:10.1021/ja9629975

upstream raw materials:

3,3,3-trifluoro-2-methoxy-1,2-diphenylpropanol

bromobenzene

3,3,3-trifluoro-2-methoxy-1,2-diphenylpropan-1-one

ethyl trifluoroacetate,

Downstream raw materials:

3,3,3-Trifluoro-1,1,2-triphenylpropene

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