1-(Heptafluoropropyl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(Heptafluoropropyl)-4-methoxybenzene
• CAS No.: 97745-82-9
• Molecular Formula: C10H7F7O
• Molecular Weight: 276.154
• DSSTox Substance ID: DTXSID80895496
• Nikkaji Number: J3.409.669D
• Wikidata: Q82871724
• Mol file: 97745-82-9.mol

Synonyms:1-(Heptafluoropropyl)-4-methoxybenzene;97745-82-9;SCHEMBL19449762;DTXSID80895496;NS00111742

Chemical Property of 1-(Heptafluoropropyl)-4-methoxybenzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 276.03851198
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C(C(F)(F)F)(F)F)(F)F

Technology Process of 1-(Heptafluoropropyl)-4-methoxybenzene

There total 6 articles about 1-(Heptafluoropropyl)-4-methoxybenzene 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%

p-perfluoropropylphenol (61324-28-5) + dimethyl sulfate (77-78-1) → 1-methoxy-4-(perfluoropropyl)benzene (97745-82-9)

Guidance literature:

With potassium hydroxide; potassium carbonate; In methanol; at 90 ℃; for 2h;

Reference yield: 87.0%

para-iodoanisole (696-62-8) + [(1,10-phenanthroline)2Cu][n-C3F7CO2]·benzene → 1-methoxy-4-(perfluoropropyl)benzene (97745-82-9)

Guidance literature:

In 1,4-dioxane; at 130 ℃; for 16h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1039/c6dt00277c

Reference yield: 78.0%

para-iodoanisole (696-62-8) + Zn(nC3F7)2(1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone)2 → 1-methoxy-4-(perfluoropropyl)benzene (97745-82-9)

Guidance literature:

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; copper(l) iodide; at 100 ℃; for 60h; Inert atmosphere;

DOI:10.1002/chem.201405677

upstream raw materials:

methoxybenzene

Heptafluoropropyl-eisentetracarbonyljodid

heptafluorobutyric anhydride

p-perfluoropropylphenol

Refernces

• 1、 Aikawa, Kohsuke,Nakamura, Yuzo,Yokota, Yuki,Toya, Wataru,Mikami, Koichi. "Stable but reactive perfluoroalkylzinc reagents: Application in ligand-free copper-catalyzed perfluoroalkylation of aryl iodides". supporting information. p. 96 - 100. Retrieved 2015/02/05.
• 2、 Gerus, I. I.,Yagupol'skii, Yu. L.,Yagupol'skii, L. M.. "Compounds of transition metals with ρ-bonded fluorine-containing groups. VI. A new method for the perfluoroalkylation of aromatic compounds by means of the perfluoroalkyl complexes of iron". . p. 1694 - 1698. Retrieved 2007/10/02.