2,3,4,5,6-Pentafluorotriphenylmethanol

Base Information

• Chemical Name: 2,3,4,5,6-Pentafluorotriphenylmethanol
• CAS No.: 4707-17-9
• Molecular Formula: C₁₉H₁₁F₅O
• Molecular Weight: 350.288
• European Community (EC) Number: 659-773-3
• DSSTox Substance ID: DTXSID701232043
• Mol file: 4707-17-9.mol

Synonyms:2,3,4,5,6-PENTAFLUOROTRIPHENYLMETHANOL;SCHEMBL812741;diphenyl(pentafluorophenyl)carbinol;DTXSID701232043;AKOS024433083;4707-17-9;2,3,4,5,6-Pentafluoro-alpha,alpha-diphenylbenzenemethanol

Chemical Property of 2,3,4,5,6-Pentafluorotriphenylmethanol

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 350.07300578
• Heavy Atom Count: 25
• Complexity: 402

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=C(C(=C(C(=C3F)F)F)F)F)O

Technology Process of 2,3,4,5,6-Pentafluorotriphenylmethanol

There total 5 articles about 2,3,4,5,6-Pentafluorotriphenylmethanol 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: 97.0%

benzophenone (119-61-9) + pentafluorophenyl lithium (1076-44-4) → (pentafluoro phenyl) diphenyl methanol (4707-17-9)

Guidance literature:

In diethyl ether; reaction at 0°C;;

Reference yield: 60.0%

benzophenone (119-61-9) + 4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-dioxaborolane (325142-81-2) → (pentafluoro phenyl) diphenyl methanol (4707-17-9)

Guidance literature:

With potassium carbonate; In toluene; at 120 ℃; for 96h; Glovebox; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.202103686

Reference yield:

Pentafluorobenzene (363-72-4) → (pentafluoro phenyl) diphenyl methanol (4707-17-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 4,4'-di-tert-butyl-2,2'-bipyridine; C₁₀H₁₈IrO₂ / hexane / 48 h / 20 °C / Glovebox; Sealed tube; Inert atmosphere

2: potassium carbonate / toluene / 96 h / 120 °C / Glovebox; Inert atmosphere; Sealed tube

With C₁₀H₁₈IrO₂; potassium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine; In hexane; toluene;

DOI:10.1002/anie.202103686

upstream raw materials:

benzophenone

pentafluorophenyl lithium

2,3,4,5,6-pentafluorophenylmagnesium bromide

4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-dioxaborolane

Downstream raw materials:

Diphenyl-(pentafluorophenyl)-chloromethan

benzophenone

2,3,4,5,6-pentafluorobenzophenone

((perfluorophenyl)methylene)dibenzene