Benzene, [3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-

Base Information

• Chemical Name: Benzene, [3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-
• CAS No.: 64356-97-4
• Molecular Formula: C13H7F13
• Molecular Weight: 410.178
• DSSTox Substance ID: DTXSID20458928
• Wikidata: Q82282496
• Mol file: 64356-97-4.mol

Synonyms:64356-97-4;Benzene, [3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-;SCHEMBL7751952;DTXSID20458928;[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzene;3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentylbenzene;1-phenyl-2,2-bis (trifluoromethyl)-3,3,4,4,5,5,5-heptafluoropentane

Chemical Property of Benzene, [3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-

Chemical Property:

• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 410.0340163
• Heavy Atom Count: 26
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, [3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-

There total 7 articles about Benzene, [3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]- 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: 92.0%

perfluoro-2-methylpent-2-ene (1584-03-8) + benzyl bromide (100-39-0) → 3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentylbenzene (64356-97-4)

Guidance literature:

With potassium fluoride; In N,N-dimethyl-formamide; at 100 ℃; for 10h;

DOI:10.1016/S0022-1139(00)81024-6

Reference yield: 90.0%

{bis(trifluoromethyl)heptafluoropropyl}methyl cesium (64356-98-5) + benzyl bromide (100-39-0) → 3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentylbenzene (64356-97-4)

Guidance literature:

In diethylene glycol; 50 to 60°C, 2 h, then left overnight;

DOI:10.1016/S0022-1139(00)82682-2

Reference yield: 87.0%

1,1,1,2,2,3,3,5,5,5-decafluoro-4-trifluoromethyl-pentane (30320-28-6) + benzyl bromide (100-39-0) → 3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentylbenzene (64356-97-4)

Guidance literature:

With perfluoro-2-methylpentene; cesium fluoride; In diethylene glycol dimethyl ether; at 20 ℃;

DOI:10.1007/BF00955297

upstream raw materials:

perfluoro-2-methylpent-2-ene

benzyl bromide

1,1,1,2,2,3,3,5,5,5-decafluoro-4-trifluoromethyl-pentane

perfluoro-2-methylpentan-2-ylcaesium

Downstream raw materials:

1-Bromo-3-(3,3,4,4,5,5,5-heptafluoro-2,2-bis-trifluoromethyl-pentyl)-benzene

4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-1-bromobenzene

4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)benzoic acid

3-(3,3,4,4,5,5,5-Heptafluoro-2,2-bis-trifluoromethyl-pentyl)-benzoic acid