4,4',4''-Trifluorotrityl Alcohol

Base Information

• Chemical Name: 4,4',4''-Trifluorotrityl Alcohol
• CAS No.: 379-57-7
• Molecular Formula: C19H13F3O
• Molecular Weight: 314.307
• Hs Code.: 2906299090
• European Community (EC) Number: 670-948-3
• DSSTox Substance ID: DTXSID50380748
• Nikkaji Number: J534.186H
• Wikidata: Q82171177
• Mol file: 379-57-7.mol

Synonyms:4,4',4''-Trifluorotrityl Alcohol;Tris(4-fluorophenyl)methanol;379-57-7;Tri(4-fluorophenyl)methanol;tris(p-fluorophenyl)carbinol;SCHEMBL12833774;DTXSID50380748;MFCD00191587;AKOS015853501;FS-6516;CS-0320182;FT-0676219;T1466;T72392;4-Fluoro-a,a-bis(4-fluorophenyl)benzenemethanol;A823950

Chemical Property of 4,4',4''-Trifluorotrityl Alcohol

Chemical Property:

• Melting Point: 92 °C
• Boiling Point: 408.7 °C at 760 mmHg
• PKA: 12.53±0.29(Predicted)
• Flash Point: 177.5 °C
• PSA: 20.23000
• Density: 1.293 g/cm³
• LogP: 4.38810
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 314.09184952
• Heavy Atom Count: 23
• Complexity: 310

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4',4''-Trifluorotrityl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O)F

Technology Process of 4,4',4''-Trifluorotrityl Alcohol

There total 6 articles about 4,4',4''-Trifluorotrityl Alcohol 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%

4,4'-Difluorobenzophenone (345-92-6) → 4-Fluorobenzoic acid (456-22-4) + 4,4',4''-trifluorotriphenylmethanol (379-57-7)

Guidance literature:

With potassium hydroxide; oxygen; In 1,2-dimethoxyethane; at 70 ℃; for 3h;

DOI:10.1007/BF00957947

Reference yield: 81.0%

4,4'-Difluorobenzophenone (345-92-6) + 4-flourophenylmagnesium bromide (352-13-6) → 4,4',4''-trifluorotriphenylmethanol (379-57-7)

Guidance literature:

4-flourophenylmagnesium bromide; With magnesium; ethylene dibromide; In tetrahydrofuran; at 36 - 60 ℃; Schlenk technique; Inert atmosphere;

4,4'-Difluorobenzophenone; In tetrahydrofuran; at 0 - 25 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.chempr.2021.02.029

Reference yield: 65.0%

4-flourophenylmagnesium bromide (352-13-6) + 1,1'-carbonyldiimidazole (530-62-1) → 4,4',4''-trifluorotriphenylmethanol (379-57-7) + 4,4'-Difluorobenzophenone (345-92-6)

Guidance literature:

In tetrahydrofuran; at -80 - 20 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1216815

upstream raw materials:

methyl 4-flurobenzoate

4-flourophenylmagnesium bromide

4,4'-Difluorobenzophenone

1-Bromo-4-fluorobenzene

Downstream raw materials:

C₂₁H₁₆BrF₃O

3,6-difluoro-9-(4-fluorophenyl)-9H-fluoren-9-ol

CDD₃₅₄₀

(+/-)-1-<2-ethyl>-3-piperidinecarboxylic acid ethyl ester

Refernces

• 1、 N?sel, Pascal,Moghimi, Setareh,Hendrich, Christoph,Haupt, Marten,Rudolph, Matthias,Rominger, Frank,Hashmia, A. Stephen K.. "Oxidative gold catalysis meets photochemistry - Synthesis of benzo[a]fluorenones from diynes". supporting information. p. 3755 - 3760. Retrieved 2015/01/09.
• 2、 McNaughton-Smith, Grant A.,Burns, J. Ford,Stocker, Jonathan W.,Rigdon, Gregory C.,Creech, Christopher,Arlington, Susan,Shelton, Tara,De Franceschi, Lucia. "Novel inhibitors of the gardos channel for the treatment of sickle cell disease". . p. 976 - 982. Retrieved 2008/12/20.