1,2-Bis[3-(trifluoromethyl)phenyl]ethane

Base Information

• Chemical Name: 1,2-Bis[3-(trifluoromethyl)phenyl]ethane
• CAS No.: 72390-22-8
• Molecular Formula: C16H12F6
• Molecular Weight: 318.262
• DSSTox Substance ID: DTXSID10565554
• Nikkaji Number: J3.173.558K
• Wikidata: Q82450712
• Mol file: 72390-22-8.mol

Synonyms:72390-22-8;1,1'-(1,2-Ethanediyl)bis-[3-(trifluoromethyl)benzene];1,2-Bis[3-(trifluoromethyl)phenyl]ethane;DTXSID10565554;ZMTUOOGNUQSLQN-UHFFFAOYSA-N;1-(trifluoromethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene;MFCD31009285;1,1'-(Ethane-1,2-diyl)bis[3-(trifluoromethyl)benzene]

Chemical Property of 1,2-Bis[3-(trifluoromethyl)phenyl]ethane

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 318.08431936
• Heavy Atom Count: 22
• Complexity: 312

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCC2=CC(=CC=C2)C(F)(F)F

Technology Process of 1,2-Bis[3-(trifluoromethyl)phenyl]ethane

There total 10 articles about 1,2-Bis[3-(trifluoromethyl)phenyl]ethane 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: 90.0%

3-Trifluoromethylbenzyl chloride (705-29-3) → 1,2-bis(3-(trifluoromethyl)phenyl)ethane (72390-22-8)

Guidance literature:

With copper(I) bromide; In water; at 20 ℃; for 0.416667h; under air;

DOI:10.3184/174751912X13252619521880

Reference yield: 75.0%

3-Trifluoromethylbenzyl chloride (705-29-3) → 1-methyl-3-trifluoromethyl-benzene (401-79-6) + 1,2-bis(3-(trifluoromethyl)phenyl)ethane (72390-22-8)

Guidance literature:

With nickel; In 1,2-dimethoxyethane; for 6h; Ambient temperature;

DOI:10.1021/jo00186a003

Reference yield: 28.0%

1-bromomethyl-3-trifluoromethylbenzene (402-23-3) → 1,2-bis(3-(trifluoromethyl)phenyl)ethane (72390-22-8)

Guidance literature:

With iodine; magnesium; In tetrahydrofuran; at 30 ℃; for 3h; Sonication; Inert atmosphere;

DOI:10.1080/00397911.2012.675459

upstream raw materials:

3-(Trifluoromethyl)benzyl phenyl sulfide

3-Trifluoromethylbenzyl chloride

tert-butyl alcohol

m-(trifluoromethyl)benzyl diethyl phosphate