1-Bromo-4-(1H,1H-perfluoro-2,2-dimethylpentyl)benzene

Base Information

• Chemical Name: 1-Bromo-4-(1H,1H-perfluoro-2,2-dimethylpentyl)benzene
• CAS No.: 149068-60-0
• Molecular Formula: C13H6 Br F13
• Molecular Weight: 489.07
• DSSTox Substance ID: DTXSID30895688
• Nikkaji Number: J1.076.587K
• Wikidata: Q82871981
• Mol file: 149068-60-0.mol

Synonyms:149068-60-0;1-BROMO-4-(1H,1H-PERFLUORO-2,2-DIMETHYLPENTYL)BENZENE;1-bromo-4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzene;1-bromo-4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)benzene;SCHEMBL6765344;DTXSID30895688;1-Bromo-4-[2,2-bis(trifluoromethyl)-3,3,4,4,5,5,5-heptafluoropentyl]benzene

Chemical Property of 1-Bromo-4-(1H,1H-perfluoro-2,2-dimethylpentyl)benzene

Chemical Property:

• Boiling Point: 237.4±40.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.674±0.06 g/cm3(Predicted)
• LogP: 6.93550
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 487.94453
• Heavy Atom Count: 27
• Complexity: 494

Purity/Quality:

97% ^*data from raw suppliers

1-BROMO-4-(1H,1H-PERFLUORO-2,2-DIMETHYLPENTYL)BENZENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)Br

Technology Process of 1-Bromo-4-(1H,1H-perfluoro-2,2-dimethylpentyl)benzene

There total 7 articles about 1-Bromo-4-(1H,1H-perfluoro-2,2-dimethylpentyl)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: 89.0%

perfluoro-2-methylpent-2-ene (1584-03-8) + 4-bromobenzyliodide (55883-45-9) → 4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-1-bromobenzene (149068-60-0)

Guidance literature:

perfluoro-2-methylpent-2-ene; With cesium fluoride; In N,N-dimethyl-formamide; at 45 ℃; for 36h;

4-bromobenzyliodide; In N,N-dimethyl-formamide; at 65 ℃; for 14h; Further stages.;

DOI:10.1021/jo000464f

Reference yield: 89.0%

→ 4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-1-bromobenzene (149068-60-0)

Guidance literature:

Reference yield: 60.0%

perfluoro-2-methylpent-2-ene (1584-03-8) + 1-bromomethyl-4-bromobenzene (589-15-1) → 4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-1-bromobenzene (149068-60-0)

Guidance literature:

With cesium fluoride; In acetonitrile; at 80 ℃; for 48h; Sealed tube;

DOI:10.1002/cjoc.201400377

upstream raw materials:

3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentylbenzene

perfluoro-2-methylpentan-2-ylcaesium

1-bromomethyl-4-bromobenzene

perfluoro-2-methylpent-2-ene

Downstream raw materials:

tris[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phosphane

{4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)-pentyl]phenyl}trimethoxysilane

phenylbis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phosphane

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

Refernces

• 1、 -. "Fluorous phosphines and phosphine oxides". . . Retrieved 2008/06/13.
• 2、 Chambers, Richard D.,Magron, Corinne,Sandford, Graham. "Reactions involving fluoride ion. Part 44.1 Synthesis, and chemistry of aromatics with bulky perfluoroalkyl substituents". . p. 283 - 290. Retrieved 2007/10/03.