1-Methoxy-4-(nonafluorobutyl)benzene

Base Information

• Chemical Name: 1-Methoxy-4-(nonafluorobutyl)benzene
• CAS No.: 153910-98-6
• Molecular Formula: C₁₁H₇F₉O
• Molecular Weight: 326.162
• European Community (EC) Number: 812-865-9
• DSSTox Substance ID: DTXSID50895620
• Nikkaji Number: J1.022.157I
• Wikidata: Q82871891
• Mol file: 153910-98-6.mol

Synonyms:1-Methoxy-4-(nonafluorobutyl)benzene;153910-98-6;SCHEMBL14047382;DTXSID50895620;ALAVCOZCLVZGKS-UHFFFAOYSA-N

Chemical Property of 1-Methoxy-4-(nonafluorobutyl)benzene

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 326.03531830
• Heavy Atom Count: 21
• Complexity: 355

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Methoxy-4-(nonafluorobutyl)benzene

There total 12 articles about 1-Methoxy-4-(nonafluorobutyl)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: 93.0%

para-iodoanisole (696-62-8) + [(1,10-phenanthroline)2Cu][n-C4F9CO2] → 1-methoxy-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzene (153910-98-6)

Guidance literature:

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

DOI:10.1039/c6dt00277c

Reference yield: 77.0%

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) + para-iodoanisole (696-62-8) → 1-methoxy-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzene (153910-98-6)

Guidance literature:

With copper;

DOI:10.1016/S0022-1139(98)00230-9

Reference yield: 65.0%

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) + 4-methoxy-aniline (104-94-9) → heptafluorobutyric Acid (375-22-4) + 1-methoxy-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzene (153910-98-6)

Guidance literature:

4-methoxy-aniline; With tert.-butylnitrite; sulfuric acid; water; In acetonitrile; for 0.25h; Cooling with ice; Schlenk technique;

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane; With copper; hydroquinone; In acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201402820

upstream raw materials:

oct-1-ene

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

methoxybenzene

para-iodoanisole

Downstream raw materials:

1-(2,2,3,3,4,4,4-heptafluoro-1,1-dimethylbutyl)-4-methoxybenzene

1-(1,1-dichloro-2,2,3,3,4,4,4-heptafluorobutyl)-4-methoxybenzene

Heptafluoro-1-(4-methoxyphenyl)butan-1-one