1-(Trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene

Base Information

• Chemical Name: 1-(Trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
• CAS No.: 42134-71-4
• Molecular Formula: C16H12F6
• Molecular Weight: 318.262
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID00458128
• Nikkaji Number: J1.748.410I
• Wikidata: Q82281282
• Mol file: 42134-71-4.mol

Synonyms:42134-71-4;1-(trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;1,2-[BIS-(4-TRIFLUOROMETHYL)PHENYL]ETHANE 97;1,2-Bis-(4-trifluoromethylphenyl)ethane;1,2-Bis(4-(trifluoromethyl)phenyl)ethane;1,2-Bis[4-(trifluoromethyl)phenyl]ethane;1,2-[Bis-(4-trifluoromethyl)phenyl]ethane;SCHEMBL934227;DTXSID00458128;IYZPYFZTNNKHLF-UHFFFAOYSA-N;MFCD04972683;1,2-[Bis-(4-trifluoromethyl)phenyl]ethane 97%;A825779;1,1'-(Ethane-1,2-diyl)bis[4-(trifluoromethyl)benzene]

Chemical Property of 1-(Trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene

Chemical Property:

• Boiling Point: 287.3oC at 760 mmHg
• Flash Point: 99.3oC
• PSA: 0.00000
• Density: 1.273g/cm3
• LogP: 5.50940
• 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: 296

Purity/Quality:

97% ^*data from raw suppliers

1,2-BIS-(4-TRIFLUOROMETHYLPHENYL)ETHANE 95.00% ^*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=C1CCC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

Technology Process of 1-(Trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene

There total 20 articles about 1-(Trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene 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%

(E)-1,2-bis(4-trifluoromethylphenyl)ethene (42134-74-7) → 1,2-bis(4-(trifluoromethyl)phenyl)ethane (42134-71-4)

Guidance literature:

With iodine; hypophosphorous acid; In acetic acid; for 24h; Heating;

DOI:10.1016/S0040-4020(02)00415-5

Reference yield: 94.0%

4-bromomethyltrifluoromethylbenzene (402-49-3) → 1,2-bis(4-(trifluoromethyl)phenyl)ethane (42134-71-4)

Guidance literature:

With potassium phosphate; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; In N,N-dimethyl-formamide; at 20 ℃; for 4h; Inert atmosphere; Irradiation;

DOI:10.1002/chem.201603517

Reference yield: 88.0%

→ 1,2-bis(4-(trifluoromethyl)phenyl)ethane (42134-71-4)

Guidance literature:

With tetrabutylammomium bromide; C₅₅H₄₆N₄O₄W; potassium carbonate; bis(pinacol)diborane; In acetonitrile; for 12h; Reagent/catalyst; Inert atmosphere; Irradiation;

upstream raw materials:

4-Trifluoromethylbenzaldehyde

phenyl(4-(trifluoromethyl)benzyl)sulfane

4-trifluoromethylbenzyl chloride

tert-butyl alcohol