N,N-Dioctylaniline

Base Information

• Chemical Name: N,N-Dioctylaniline
• CAS No.: 3007-75-8
• Molecular Formula: C22H39N
• Molecular Weight: 317.558
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID50184142
• Nikkaji Number: J148.217C
• Wikidata: Q83055020
• Mol file: 3007-75-8.mol

Synonyms:N,N-Dioctylaniline;N,N-Di-n-octylaniline;3007-75-8;Benzenamine, N,N-dioctyl-;dioctylphenylamine;Dioctylamine, N-phenyl-;SCHEMBL119638;DTXSID50184142;ADAL1013069;MFCD00155305;WS-02160;CS-0362427;D86347

Chemical Property of N,N-Dioctylaniline

Chemical Property:

• Vapor Pressure: 4.55E-07mmHg at 25°C
• Refractive Index: 1.499
• Boiling Point: 414.1 °C at 760 mmHg
• PKA: 6.29±0.50(Predicted)
• Flash Point: 167 °C
• PSA: 3.24000
• Density: 0.885 g/cm³
• LogP: 7.21400
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 317.308250248
• Heavy Atom Count: 23
• Complexity: 216

Purity/Quality:

98%Min ^*data from raw suppliers

N,N-DI-N-OCTYLANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,N-Dioctylaniline

There total 10 articles about N,N-Dioctylaniline 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: 97.0%

1-bromo-octane (111-83-1) + aniline (62-53-3) → N,N-dioctylaminobenzene (3007-75-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 24h;

Reference yield: 76.0%

Octanoic acid (124-07-2) + aniline (62-53-3) → N,N-dioctylaminobenzene (3007-75-8) + N-octylaniline (3007-71-4)

Guidance literature:

With tris(2,4-pentanedionato)ruthenium(III); hydrogen; bis(trifluoromethanesulfonyl)amide; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; In dibutyl ether; at 160 ℃; for 18h; under 45004.5 Torr; Autoclave;

DOI:10.1021/jacs.5b07994

Reference yield: 74.0%

→ N,N-dioctylaminobenzene (3007-75-8)

Guidance literature:

With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; at 160 ℃; for 36h; Schlenk technique; Inert atmosphere;

upstream raw materials:

1-bromo-octane

N-octylaniline

octanol

aniline

Downstream raw materials:

4-(N,N-dioctylamino)-4'-trifluoroacetylazobenzene

6-(1,3-dioxoindan-2-ylidene)-2-oxo-3-(4-N,N-dioctylaminophenyl)-2,6-dihydrobenzofuran

3-[4-(N,N-dioctylamino)phenyl]-4-hydroxycyclobutene-1,2-dione

4-[(1E)-2-(4-iodophenyl)ethenyl]-N,N-dioctylbenzenamine

Refernces

• 1、 -. "Compound and preparation method thereof, and application of compound as n-type dopant". Paragraph 0036; 0040; 0044; 0053. . Retrieved 2020/03/09.
• 2、 Sorribes, Iván,Cabrero-Antonino, Jose R.,Vicent, Cristian,Junge, Kathrin,Beller, Matthias. "Catalytic N-Alkylation of Amines Using Carboxylic Acids and Molecular Hydrogen". supporting information. p. 13580 - 13587. Retrieved 2015/11/10.