1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide

Base Information

• Chemical Name: 1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide
• CAS No.: 29920-02-3
• Molecular Formula: C37H78N.Br
• DSSTox Substance ID: DTXSID60567760
• Mol file: 29920-02-3.mol

Synonyms:29920-02-3;Tridodecyl Methyl Ammonium Bromide;1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide;Methyltridodecylammonium Bromide;N,N-Didodecyl-N-methyldodecan-1-aminium bromide;SCHEMBL853784;tridodecyl(methyl)azanium;bromide;DTXSID60567760

Chemical Property of 1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 33
• Exact Mass: 615.53176
• Heavy Atom Count: 39
• Complexity: 357

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Br-]

Technology Process of 1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide

There total 3 articles about 1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide 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: 52.0%

methyl bromide (74-83-9) + tridodecylamine (102-87-4) → tridodecylmethylammonium bromide (29920-02-3)

Guidance literature:

In ethanol; at 90 - 95 ℃; for 183h;

DOI:10.1021/ja00319a014

Reference yield:

n-Dodecylamine (124-22-1) → tridodecylmethylammonium bromide (29920-02-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 22.6 percent / Na₂CO₃ / ethanol / 144 h / Heating

2: 52 percent / ethanol / 183 h / 90 - 95 °C

With sodium carbonate; In ethanol;

DOI:10.1021/ja00319a014

Reference yield:

1-dodecylbromide (143-15-7) → tridodecylmethylammonium bromide (29920-02-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 22.6 percent / Na₂CO₃ / ethanol / 144 h / Heating

2: 52 percent / ethanol / 183 h / 90 - 95 °C

With sodium carbonate; In ethanol;

DOI:10.1021/ja00319a014

upstream raw materials:

methyl bromide

tridodecylamine

n-Dodecylamine

1-dodecylbromide

Refernces