1,4-Dimethyl-2-(tridecafluorohexyl)benzene

Base Information

• Chemical Name: 1,4-Dimethyl-2-(tridecafluorohexyl)benzene
• CAS No.: 123524-58-3
• Molecular Formula: C14H9F13
• Molecular Weight: 424.205
• DSSTox Substance ID: DTXSID20895915
• Nikkaji Number: J595.126G
• Wikidata: Q82872072
• Mol file: 123524-58-3.mol

Synonyms:1,4-Dimethyl-2-(tridecafluorohexyl)benzene;123524-58-3;SCHEMBL13475530;DTXSID20895915;PTWQEKZPSMBKGD-UHFFFAOYSA-N;NS00109713

Chemical Property of 1,4-Dimethyl-2-(tridecafluorohexyl)benzene

Chemical Property:

• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 424.0496664
• Heavy Atom Count: 27
• Complexity: 534

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of 1,4-Dimethyl-2-(tridecafluorohexyl)benzene

There total 2 articles about 1,4-Dimethyl-2-(tridecafluorohexyl)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: 50.0%

n-perfluorohexyl iodide (355-43-1) + para-xylene (106-42-3) → 1,4-dimethyl-2-(tridecafluorohexyl)benzene (123524-58-3)

Guidance literature:

With [(2,2'-bipyridine)FeCl₃]; potassium tert-butylate; In N,N-dimethyl-formamide; at 20 ℃; Reagent/catalyst; Inert atmosphere; Electrolysis;

DOI:10.1039/c5dt03009a

Reference yield: 41.0%

para-xylene (106-42-3) + 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride (55591-23-6) → 1,4-dimethyl-2-(tridecafluorohexyl)benzene (123524-58-3)

Guidance literature:

dichlorotris(triphenylphosphine)ruthenium(II); at 120 ℃; for 24h;

upstream raw materials:

para-xylene

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride

n-perfluorohexyl iodide

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