Benzenamine, 4-(nonafluorobutyl)-

Base Information

• Chemical Name: Benzenamine, 4-(nonafluorobutyl)-
• CAS No.: 114262-65-6
• Molecular Formula: C10H6F9N
• Molecular Weight: 311.15
• DSSTox Substance ID: DTXSID30450630
• Nikkaji Number: J1.022.152H
• Wikidata: Q82270422
• Mol file: 114262-65-6.mol

Synonyms:Benzenamine, 4-(nonafluorobutyl)-;114262-65-6;4-(Nonafluorobutyl)benzenamine;SCHEMBL447473;DTXSID30450630;ODAJPMXNUNVRLV-UHFFFAOYSA-N

Chemical Property of Benzenamine, 4-(nonafluorobutyl)-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 311.03565265
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N

Technology Process of Benzenamine, 4-(nonafluorobutyl)-

There total 6 articles about Benzenamine, 4-(nonafluorobutyl)- 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: 96.6%

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) + p-aminoiodobenzene (540-37-4) → 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-phenylamine (114262-65-6)

Guidance literature:

With copper; In dimethyl sulfoxide; at 120 ℃; for 10h;

DOI:10.1246/bcsj.65.2141

Reference yield: 65.0%

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) + aniline (62-53-3) → 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-phenylamine (114262-65-6) + 2-(Nonafluorobutyl)aniline (106877-28-5)

Guidance literature:

With 2,4,6-trimethyl-pyridine; zinc phthalocyanine; ascorbic acid; In N,N-dimethyl-formamide; acetonitrile; at 22 ℃; for 24h; Reagent/catalyst; Solvent; Catalytic behavior; Inert atmosphere; Irradiation;

DOI:10.1039/C9OB00486F

Reference yield:

4-nitro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-benzene (196932-95-3) → 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-phenylamine (114262-65-6)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; at 80 ℃; for 4h;

upstream raw materials:

Pentafluoroethyl iodide

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

aniline

p-aminoiodobenzene

Downstream raw materials:

1-(4-Aminophenyl)-1,1-diethoxyheptafluorobutane