4-Dodecylaniline

Base Information

• Chemical Name: 4-Dodecylaniline
• CAS No.: 104-42-7
• Molecular Formula: C18H31N
• Molecular Weight: 261.451
• Hs Code.: 2921420090
• European Community (EC) Number: 203-201-3
• DSSTox Substance ID: DTXSID8021858
• Nikkaji Number: J60.105E
• Wikidata: Q72470359
• Mol file: 104-42-7.mol

Synonyms:4-Dodecylaniline;104-42-7;P-DODECYLANILINE;Benzenamine, 4-dodecyl-;P-dodecyl aniline;C18H31N;EINECS 203-201-3;4-Dodecylanilin;4-n-Dodecylamine;p-n-dodecylaniline;paradodecyl aniline;Bencenamina, 4-dodecil-;4-Dodecylaniline, 97%;SCHEMBL112609;DTXSID8021858;MFCD00007919;AKOS015843157;CS-W022175;AC-18319;AS-15676;LS-184865;D3427;FT-0631569;H11881;A800980;W-108813

Chemical Property of 4-Dodecylaniline

Chemical Property:

• Appearance/Colour: WHITE TO TAN POWDER, CRYSTALS AND/OR CHUNKS
• Vapor Pressure: 1.74E-05mmHg at 25°C
• Melting Point: 35-39 °C(lit.)
• Refractive Index: 1.508
• Boiling Point: 364 °C at 760 mmHg
• PKA: 4.95±0.10(Predicted)
• Flash Point: 162.7 °C
• PSA: 26.02000
• Density: 0.902 g/cm³
• LogP: 6.31340
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 261.245649993
• Heavy Atom Count: 19
• Complexity: 182

Purity/Quality:

99.9% ^*data from raw suppliers

4-Dodecylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)N
• Uses: 4-Dodecylaniline has been used: in the synthesis of sodium 4-dodecylphenylazosulfonate, to investigate the water solubilization of single-walled carbon nanotubes (SWNTs), in proton transfer step during molecular oxygen (O2) reduction by decamethylferrocene (DMFc). 4-Dodecylaniline has been used:in the synthesis of sodium 4-dodecylphenylazosulfonateto investigate the water solubilization of single-walled carbon nanotubes (SWNTs)in proton transfer step during molecular oxygen (O2) reduction by decamethylferrocene (DMFc)

Technology Process of 4-Dodecylaniline

There total 27 articles about 4-Dodecylaniline 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: 45.0%

1-dodecyl alcohol (112-53-8) + aniline (62-53-3) → 4-dodecylaniline (104-42-7)

Guidance literature:

With zinc(II) chloride; at 255 - 258 ℃; for 21h;

Reference yield: 41.0%

1-(dodec-1-yn-1-yl)-4-nitrobenzene (1022975-57-0) → 4-dodecylaniline (104-42-7)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; ethyl acetate; at 20 ℃; for 24h; under 15001.5 Torr; Autoclave;

DOI:10.1021/ja302574b

Reference yield:

1-dodecene (112-41-4,25067-08-7,62132-67-6) + aniline (62-53-3) → 4-dodecylaniline (104-42-7)

Guidance literature:

With aluminum (III) chloride; methyl tributylammonium chloride; at 46 - 160 ℃; for 27.8h;

upstream raw materials:

N-dodecylaniline

aniline hydrochloride

1-chloro-4-dodecylbenzene

4'-aminododecanoylphenone

Downstream raw materials:

3-hydroxy-[2]naphthoic acid-(4-dodecyl-anilide)

3-Nitro-4-methoxybenzolsulfo-4-dodecylanilid

[4-(3-{[(E)-4-Dodecyl-phenylimino]-methyl}-phenoxy)-butyl]-trimethyl-ammonium; bromide

(4-{[(E)-4-Dodecyl-phenylimino]-methyl}-phenyl)-trimethyl-ammonium; bromide

Refernces

• 1、 -. "LUBRICATING COMPOSITION CONTAINING AN ASHLESS TBN BOOSTER". . . Retrieved 2015/09/22.
• 2、 Yagai, Shiki,Usui, Mari,Seki, Tomohiro,Murayama, Haruno,Kikkawa, Yoshihiro,Uemura, Shinobu,Karatsu, Takashi,Kitamura, Akihide,Asano, Atsushi,Seki, Shu. "Supramolecularly engineered perylene bisimide assemblies exhibiting thermal transition from columnar to multilamellar structures". . p. 7983 - 7994. Retrieved 2012/06/30.