N-Octyl-N-phenylaniline

Base Information

• Chemical Name: N-Octyl-N-phenylaniline
• CAS No.: 86-25-9
• Molecular Formula: C20H27N
• Molecular Weight: 281.441
• Hs Code.: 2914399090
• European Community (EC) Number: 201-658-3
• UNII: 8EKR2AS59F
• DSSTox Substance ID: DTXSID1052583
• Nikkaji Number: J192.633K
• Wikidata: Q27270260
• Mol file: 86-25-9.mol

Synonyms:N-Octyl-N-phenylaniline;monooctyldiphenylamine;86-25-9;Octyl diphenylamine;Benzenamine,N-octyl-N-phenyl-;N,N-Diphenyloctylamine;UNII-8EKR2AS59F;8EKR2AS59F;EINECS 201-658-3;N-octyl-N-phenylanilin;SCHEMBL60682;Benzenamine, N-octyl-N-phenyl-;DTXSID1052583;ADAL1013062;Q27270260

Chemical Property of N-Octyl-N-phenylaniline

Chemical Property:

• Vapor Pressure: 1.9E-06mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 395 °C at 760 mmHg
• PKA: 1.20±0.50(Predicted)
• Flash Point: 172.4 °C
• PSA: 3.24000
• Density: 0.971 g/cm³
• LogP: 6.18520
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 281.214349865
• Heavy Atom Count: 21
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of N-Octyl-N-phenylaniline

There total 5 articles about N-Octyl-N-phenylaniline 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: 87.0%

1-bromo-octane (111-83-1) + diphenylamine (122-39-4) → N-octyl-N-phenylaniline (86-25-9)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; for 24h; Reflux;

DOI:10.1016/j.dyepig.2016.09.026

Reference yield: 66.0%

n-Octylamine (111-86-4) + chlorobenzene (108-90-7) → N-octylaniline (3007-71-4) + N-octyl-N-phenylaniline (86-25-9)

Guidance literature:

With NHC-Pd(II)-Im; potassium tert-butylate; In toluene; for 4h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2012.01.008

Reference yield: 57.0%

n-Octylamine (111-86-4) + methyl-phenyl-thioether (100-68-5) → N-octylaniline (3007-71-4) + N-octyl-N-phenylaniline (86-25-9)

Guidance literature:

With C₄₀H₅₆ClN₃Pd; potassium hexamethylsilazane; In toluene; at 60 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.201500226

upstream raw materials:

1-bromo-octane

lithium diphenylamide

n-Octylamine

chlorobenzene

Refernces

Enantioselective Synthesis of Polycyclic Aromatic Hydrocarbon (PAH)-Based Planar Chiral Bent Cyclophanes by Rhodium-Catalyzed [2+2+2] Cycloaddition

10.1002/chem.202001450

The study presents the enantioselective synthesis of polycyclic aromatic hydrocarbon (PAH)-based planar chiral bent cyclophanes using rhodium-catalyzed [2+2+2] cycloaddition. The researchers achieved this by intramolecular regio- and enantioselective cycloaddition of tethered diyne benzofulvenes, followed by stepwise oxidative transformations. The synthesized planar chiral bent cyclophanes, featuring bent p-terphenyl and 9-fluorenone cores, were converted into 9-fluorenol-based cyclophanes with excellent enantiomeric excess (ee) values of over 99%. These cyclophanes exhibited high fluorescence quantum yields, significantly higher than an acyclic reference molecule, due to reduced flexibility and suppressed radiationless deactivation. The study also found that the anisotropy factors for electronic circular dichroism (ECD) increased as the tether length became shorter, enhancing the bending effect and reducing twist. The work demonstrates the utility of rhodium-catalyzed [2+2+2] cycloaddition for constructing PAH-based planar chiral bent cyclophane structures with high enantioselectivity and unique optoelectronic properties.

Chemoselective Ruthenium-Catalyzed C-O Bond Activation: Orthogonality of Nickel- and Palladium-Catalyzed Reactions for the Synthesis of Polyaryl Fluorenones

10.1055/s-0036-1590985

The research explores the development of a new methodology for synthesizing polyaryl fluorenones through ruthenium-catalyzed C–O bond activation and arylation. The study focuses on the selective activation of methoxy and O-carbamoyl-substituted fluorenones, establishing reactions that yield various arylated fluorenones with high efficiency. Key chemicals involved include fluorenones, boronic esters, and ruthenium catalysts such as RuH2(CO)(PPh3)3. The researchers also employed palladium and nickel catalysts to achieve orthogonal reactivity, allowing for the synthesis of 1,4-diaryl and 1,4,8-triaryl fluorenones. The methodology leverages the convenience of starting materials and the potential for application in material science, particularly in the development of optical and electrochemical properties for organic light-emitting devices and liquid crystals.

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