3,3',3'',3'''-TETRAKIS(TRIFLUOROMETHYL)BENZOPINACOLE

Base Information

• Chemical Name: 3,3',3'',3'''-TETRAKIS(TRIFLUOROMETHYL)BENZOPINACOLE
• CAS No.: 3870-47-1
• Molecular Formula: C30H18 F12 O2
• Molecular Weight: 638.453
• Hs Code.: 2906299090
• European Community (EC) Number: 634-838-9
• DSSTox Substance ID: DTXSID70397434
• Wikidata: Q82198762
• Mol file: 3870-47-1.mol

Synonyms:1,2-Ethanediol,tetrakis(a,a,a-trifluoro-m-tolyl)- (7CI,8CI); 1,1,2,2-Tetra(3-trifluoromethylphenyl)-1,2-ethanediol

Chemical Property of 3,3',3'',3'''-TETRAKIS(TRIFLUOROMETHYL)BENZOPINACOLE

Chemical Property:

• Melting Point: 167-170 °C(lit.)
• Boiling Point: 483.4°Cat760mmHg
• Flash Point: 246.2°C
• PSA: 40.46000
• Density: 1.451g/cm³
• LogP: 8.93380
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 5
• Exact Mass: 638.1115178
• Heavy Atom Count: 44
• Complexity: 812

Purity/Quality:

3,3',3'',3'''-TETRAKIS(TRIFLUOROMETHYL)BENZOPINACOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(C2=CC(=CC=C2)C(F)(F)F)(C(C3=CC(=CC=C3)C(F)(F)F)(C4=CC(=CC=C4)C(F)(F)F)O)O

Technology Process of 3,3',3'',3'''-TETRAKIS(TRIFLUOROMETHYL)BENZOPINACOLE

There total 1 articles about 3,3',3'',3'''-TETRAKIS(TRIFLUOROMETHYL)BENZOPINACOLE 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:

3,3'-bis(trifluoromethyl)benzophenone (1868-00-4) → 1,1,2,2-tetrakis(3-trifluoromethylphenyl)ethane-1,2-diol (3870-47-1)

Guidance literature:

With ethanol; Quantum yield; Irradiation; triplet energy 67 kcal/mol;

DOI:10.1246/cl.1984.881

Reference yield: 64.0%

1,1,2,2-tetrakis(3-trifluoromethylphenyl)ethane-1,2-diol (3870-47-1) + tetrakis(dimethylamido)vanadium(IV) → [V{(3,3',3'',3'''-(CF3)C6H6)4C2H2O2}(NMe2)2]

Guidance literature:

In hexane; at -30 - 40 ℃;

Reference yield:

1,1,2,2-tetrakis(3-trifluoromethylphenyl)ethane-1,2-diol (3870-47-1) → 3,3',3'',3'''-Tetrakis-trifluormethyl-benzpinakolin (3798-36-5)

Guidance literature:

With iodine; In acetic acid; for 1h; Heating;

upstream raw materials:

3,3'-bis(trifluoromethyl)benzophenone

Downstream raw materials:

3,3',3'',3'''-Tetrakis-trifluormethyl-benzpinakolin