N,N-didodecylaniline

Base Information

• Chemical Name: N,N-didodecylaniline
• CAS No.: 4960-25-2
• Molecular Formula: C₃₀H₅₅N
• Molecular Weight: 429.773
• European Community (EC) Number: 660-842-5
• DSSTox Substance ID: DTXSID60405411
• Wikidata: Q82209948
• Mol file: 4960-25-2.mol

Synonyms:N,N-didodecylaniline;4960-25-2;N,N-didodecyl-N-phenylamine;SCHEMBL1262368;DTXSID60405411;AKOS024434103

Chemical Property of N,N-didodecylaniline

Chemical Property:

• Vapor Pressure: 7.3E-11mmHg at 25°C
• XLogP3: 13.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 23
• Exact Mass: 429.433450759
• Heavy Atom Count: 31
• Complexity: 309

Purity/Quality:

98%min, 95%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC=CC=C1

Technology Process of N,N-didodecylaniline

There total 6 articles about N,N-didodecylaniline 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: 91.0%

1-dodecylbromide (143-15-7) + 9-bora-bicyclo[3.3.1]nonane (280-64-8) + aniline (62-53-3) → 9-dodecyl-9-borabicyclo[3.3.1]nonane + N,N-didodecylbenzamine (4960-25-2)

Guidance literature:

1-dodecylbromide; aniline; With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; Inert atmosphere;

With potassium tert-butylate; In N,N-dimethyl-formamide; Reflux; Inert atmosphere;

9-bora-bicyclo[3.3.1]nonane; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1246/bcsj.20180075

Reference yield: 89.0%

1-dodecyl alcohol (112-53-8) + aniline (62-53-3) → N,N-didodecylbenzamine (4960-25-2)

Guidance literature:

With 2,2,2-trifluoroethanol; chloro-(pentamethylcyclopentadienyl)-{5-methoxy-2-{1-[(4-methoxyphenyl)imino-N]ethyl}phenyl-C}-iridium(lll); potassium carbonate; at 100 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201501109

Reference yield: 87.0%

1-dodecylbromide (143-15-7) + aniline (62-53-3) → N,N-didodecylbenzamine (4960-25-2)

Guidance literature:

With potassium carbonate; potassium iodide; at 165 ℃;

DOI:10.1021/ol503137p

upstream raw materials:

1-dodecyl alcohol

1-dodecylbromide

aniline

9-bora-bicyclo[3.3.1]nonane

Downstream raw materials:

(E)-4-(4-(didodecylamino)styryl)benzaldehyde