benzyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride

Base Information

• Chemical Name: benzyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride
• CAS No.: 52513-11-8
• Molecular Formula: C24H43 N2 O . Cl
• Molecular Weight: 411.071
• Hs Code.: 2924299090
• European Community (EC) Number: 257-983-6
• UNII: 5D0BVX7BJM
• DSSTox Substance ID: DTXSID80886006
• Wikidata: Q27261850
• Mol file: 52513-11-8.mol

Synonyms:Benzenemethanaminium,N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-, chloride (9CI);Benzyl(3-dodecamidopropyl)dimethylammonium chloride; Laurimin;N-Benzyl-N,N-dimethyl-N-lauramidopropylammonium chloride

Chemical Property of benzyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 29.10000
• Density: g/cm³
• LogP: 3.08510
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 410.3063917
• Heavy Atom Count: 28
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

N-Benzyl-N,N-dimethyl-3-(lauroylamino)-propan-1-aminium chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Technology Process of benzyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride

There total 4 articles about benzyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride 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: 90.0%

lauric acid dimethylaminopropylamide (3179-80-4) + benzyl chloride (100-44-7) → N-(3-(dimethylbenzylammonium)propyl)lauramide chloride (52513-11-8)

Guidance literature:

In isopropyl alcohol; for 8h; Heating;

DOI:10.1007/BF01149148

Reference yield:

lauric acid (143-07-7) + 1-amino-3-(dimethylamino)propane (109-55-7) → N-(3-(dimethylbenzylammonium)propyl)lauramide chloride (52513-11-8)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / 5,5-dimethyl-1,3-cyclohexadiene / 137 °C / Dean-Stark

2: ethanol / 78 °C / Reflux

With toluene-4-sulfonic acid; In 5,5-dimethyl-1,3-cyclohexadiene; ethanol;

DOI:10.1039/c6ra00252h

Reference yield:

lauric acid (143-07-7) → N-(3-(dimethylbenzylammonium)propyl)lauramide chloride (52513-11-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / 120 - 130 °C

2: 90 percent / propan-2-ol / 8 h / Heating

In isopropyl alcohol;

DOI:10.1007/BF01149148

upstream raw materials:

lauric acid dimethylaminopropylamide

benzyl chloride

lauric acid

1-amino-3-(dimethylamino)propane

Refernces

• 1、 Shaban, Samy M.,Aiad, Ismail,Ismail, Abdallah R.. "Surface Parameters and Biological Activity of N-(3-(Dimethyl Benzyl Ammonio) Propyl) Alkanamide Chloride Cationic Surfactants". . p. 501 - 510. Retrieved 2016/05/02.