N,N-Dihexylaniline

Base Information

• Chemical Name: N,N-Dihexylaniline
• CAS No.: 4430-09-5
• Molecular Formula: C18H31N
• Molecular Weight: 261.451
• Hs Code.: 2921420090
• European Community (EC) Number: 626-482-8
• DSSTox Substance ID: DTXSID40196113
• Nikkaji Number: J863.800D
• Mol file: 4430-09-5.mol

Synonyms:N,N-Dihexylaniline;N,N-Di-N-hexylaniline;4430-09-5;dihexylphenyl amine;SCHEMBL104347;N,N-Di-N-hexylaniline, 97%;DTXSID40196113;DGYRVXQIGUEFFK-UHFFFAOYSA-N;ADAL1013150;AKOS037621424

Chemical Property of N,N-Dihexylaniline

Chemical Property:

• Vapor Pressure: 3.26E-05mmHg at 25°C
• Refractive Index: n20/D 1.507(lit.)
• Boiling Point: 354.8 °C at 760 mmHg
• Flash Point: 144.2 °C
• PSA: 3.24000
• Density: 0.893 g/cm³
• LogP: 5.65360
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 261.245649993
• Heavy Atom Count: 19
• Complexity: 172

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N-DI-N-HEXYLANILINE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN(CCCCCC)C1=CC=CC=C1
• Uses: N,N-Di-N-hexylaniline (N,N-dihexylaniline) may be used to synthesize:4-formyl-N,N-dihexylanilineN,N′-bis[(4-(N,N-dihexylamino)benzylidene]diaminofumaronitrile, a bisazomethine dye4-(dihexylamino)benzaldehyde

Technology Process of N,N-Dihexylaniline

There total 15 articles about N,N-Dihexylaniline 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%

4-methylbenzenesulfonic acid n-hexylester (3839-35-8) + aniline (62-53-3) → N,N-dihexylaniline (4430-09-5)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; at 100 ℃; for 8h;

Reference yield: 89.0%

aniline (62-53-3) + hexan-1-ol (111-27-3) → N-hexylaniline (4746-32-1) + N,N-dihexylaniline (4430-09-5)

Guidance literature:

With Ni₀₄₈₂⁽⁵⁵⁾Cu₀₃₈⁽⁹⁶⁾Fe₁₃₉O₄; at 200 ℃; for 2h; Inert atmosphere; Microwave irradiation;

DOI:10.1002/cctc.201900592

Reference yield: 85.0%

1-Iodohexane (638-45-9) + aniline (62-53-3) → N,N-dihexylaniline (4430-09-5)

Guidance literature:

With potassium carbonate; In ethanol; for 18h; Heating;

DOI:10.1021/jo010713f

upstream raw materials:

1-bromo-hexane

aniline

hexan-1-ol

1-Iodohexane

Downstream raw materials:

4-formyl-N,N-dihexylaniline

C₄₆H₆₆N₄S

2,3-bis[(4-(N,N-dihexylamino)benzylidene)amino]fumaronitrile

Refernces

• 1、 Li, Alain You,Dumaresq, Nicolas,Segalla, Andréanne,Braidy, Nadi,Moores, Audrey. "Plasma-Made (Ni0.5Cu0.5)Fe2O4 Nanoparticles for Alcohol Amination under Microwave Heating". . p. 3959 - 3972. Retrieved 2019/08/12.
• 2、 -. "Method for preparing N,N-Dimethylaniline compound through alkylation of alkyl tosylate". . . Retrieved 2019/07/11.