1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene

Base Information

• Chemical Name: 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene
• CAS No.: 80054-70-2
• Molecular Formula: C21H17F3O
• Molecular Weight: 342.361
• NSC Number: 115026
• DSSTox Substance ID: DTXSID501000945
• Wikidata: Q82994723
• Mol file: 80054-70-2.mol

Synonyms:1,1',1''-[(2,2,2-trifluoroethoxy)methanetriyl]tribenzene;80054-70-2;NSC115026;SCHEMBL5872334;YZHDKIHFTVSYDQ-UHFFFAOYSA-N;DTXSID501000945;NSC-115026

Chemical Property of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene

Chemical Property:

• Boiling Point: 388.1°Cat760mmHg
• Flash Point: 197.2°C
• Density: 1.186g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 342.12314965
• Heavy Atom Count: 25
• Complexity: 343

Purity/Quality:

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)(C3=CC=CC=C3)OCC(F)(F)F

Technology Process of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene

There total 4 articles about 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene 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: 98.0%

2,2,2-trifluoroethanol (75-89-8) + trityl chloride (76-83-5) → 2,2,2-trifluoroethyl-O-trityl eher (80054-70-2)

Guidance literature:

With sodium hydrogencarbonate; In neat (no solvent); at 23 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201902049

Reference yield: 89.0%

2,2,2-trifluoroethanol (75-89-8) + bromo-triphenyl-methane (596-43-0) → 2,2,2-trifluoroethyl-O-trityl eher (80054-70-2)

Guidance literature:

With triethylamine; In acetone; at 20 ℃; for 1h;

DOI:10.1002/poc.1332

Reference yield:

2,2,2-trifluoroethoxide (24265-37-0) + triphenylmethyl 4-cyanophenyl ether (95953-45-0) → 2,2,2-trifluoroethyl-O-trityl eher (80054-70-2)

Guidance literature:

In water; acetonitrile; at 20 ℃; Rate constant; Irradiation;

DOI:10.1021/ja00282a029

upstream raw materials:

2,2,2-trifluoroethoxide

triphenylmethyl 4-cyanophenyl ether

2,2,2-trifluoroethanol

bromo-triphenyl-methane

Downstream raw materials:

triphenylmethyl alcohol