1,1,1-Trifluoro-2,3-diphenylpropan-2-ol

Base Information

• Chemical Name: 1,1,1-Trifluoro-2,3-diphenylpropan-2-ol
• CAS No.: 79314-54-8
• Molecular Formula: C₁₅H₁₃F₃O
• Molecular Weight: 266.263
• DSSTox Substance ID: DTXSID801267851
• Nikkaji Number: J695.082E
• Mol file: 79314-54-8.mol

Synonyms:1,1,1-trifluoro-2,3-diphenylpropan-2-ol;ZNFRCACBFRPRIH-UHFFFAOYSA-N;DTXSID801267851;AKOS010909849;79314-54-8;alpha-Phenyl-alpha-(trifluoromethyl)benzeneethanol

Chemical Property of 1,1,1-Trifluoro-2,3-diphenylpropan-2-ol

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 266.09184952
• Heavy Atom Count: 19
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C(F)(F)F)O

Technology Process of 1,1,1-Trifluoro-2,3-diphenylpropan-2-ol

There total 7 articles about 1,1,1-Trifluoro-2,3-diphenylpropan-2-ol 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: 95.0%

2,2,2-Trifluoroacetophenone (434-45-7) + pinacol benzylboronate (87100-28-5) → 1,1,1-Trifluoro-2,3-diphenyl-propan-2-ol (79314-54-8)

Guidance literature:

pinacol benzylboronate; With 1,4-diaza-bicyclo[2.2.2]octane; sec.-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

2,2,2-Trifluoroacetophenone; In tetrahydrofuran; at -78 - 20 ℃; for 3.25h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.151505

Reference yield: 91.0%

benzaldehyde, hydrazone (5281-18-5) + 2,2,2-Trifluoroacetophenone (434-45-7) → 1,1,1-Trifluoro-2,3-diphenyl-propan-2-ol (79314-54-8)

Guidance literature:

With potassium phosphate; Fe(1,2-bis(dimethylphosphino)ethane)2Cl₂; cesium fluoride; In tetrahydrofuran; at 20 ℃; for 24h; Glovebox; Inert atmosphere;

DOI:10.1021/acs.orglett.8b01391

Reference yield: 3.8%

1-phenyl-2,2,2-trifluoromethylethanol (340-04-5,340-05-6) → 2,2,2-Trifluoroacetophenone (434-45-7) + meso-1,1,1,4,4,4-Hexafluor-2,3-diphenylbutandiol(2,3) (1547-69-9,33965-65-0) + 1,1,1-Trifluoro-2,3-diphenyl-propan-2-ol (79314-54-8)

Guidance literature:

With di-tert-butyl peroxide; toluene; In benzene; Irradiation;

DOI:10.1021/ja00284a041

upstream raw materials:

1-phenyl-2,2,2-trifluoromethylethanol

2,2,2-Trifluoroacetophenone

benzyltributyltin

benzaldehyde, hydrazone