N-(2-Carboxyethyl)-N-dodecyl-beta-alanine

Base Information

• Chemical Name: N-(2-Carboxyethyl)-N-dodecyl-beta-alanine
• CAS No.: 17066-08-9
• Molecular Formula: C18H35 N O4
• Molecular Weight: 329.48
• Hs Code.: 2922499990
• European Community (EC) Number: 241-127-3
• UNII: G6L51RHM7E
• DSSTox Substance ID: DTXSID70168924
• Nikkaji Number: J318.341F
• Wikidata: Q27278845
• ChEMBL ID: CHEMBL1741089
• Mol file: 17066-08-9.mol

Synonyms:Deriphat;Deriphat 160;Deriphat 160c;N-dodecyl-N,N beta-imidopropionate;N-lauryl iminodipropionate;N-lauryl iminodipropionate, disodium salt;N-lauryl iminodipropionate, monosodium salt, (beta)-isomer;N-lauryl iminodipropionate, sodium salt, (beta)-isomer;sodium lauriminodipropionate

Chemical Property of N-(2-Carboxyethyl)-N-dodecyl-beta-alanine

Chemical Property:

• Vapor Pressure: 1.35E-10mmHg at 25°C
• Refractive Index: 1.484
• Boiling Point: 481.6°Cat760mmHg
• PKA: 3.32±0.14(Predicted)
• Flash Point: 245°C
• PSA: 77.84000
• Density: g/cm³
• LogP: 4.15870
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 329.25660860
• Heavy Atom Count: 23
• Complexity: 289

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O

Technology Process of N-(2-Carboxyethyl)-N-dodecyl-beta-alanine

There total 6 articles about N-(2-Carboxyethyl)-N-dodecyl-beta-alanine 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: 56.0%

N-dodecyl-2,2'-iminodipropionitrile (1555-62-0) → N-dodecyl-2,2'-iminodipropionic acid (17066-08-9)

Guidance literature:

With hydrogenchloride; water; In dichloromethane; Heating;

DOI:10.1039/p29960002297

Reference yield: 20.0%

n-Dodecylamine (124-22-1) + acrylic acid (79-10-7) → 3-(dodecylamino)propanoic acid (1462-54-0) + N-dodecyl-2,2'-iminodipropionic acid (17066-08-9)

Guidance literature:

at 100 - 105 ℃; for 2h;

Reference yield:

n-Dodecylamine (124-22-1) → N-dodecyl-2,2'-iminodipropionic acid (17066-08-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / AcOH / 15 h / Heating

2: 56 percent / HCl(g), H₂O / CH₂Cl₂ / Heating

With hydrogenchloride; water; acetic acid; In dichloromethane;

DOI:10.1039/p29960002297

upstream raw materials:

n-Dodecylamine

acrylic acid

Dodecylglycin-hydrochlorid

N-dodecyl-2,2'-iminodipropionitrile

Refernces

• 1、 Bencini, Andrea,Fusi, Vieri,Giorgi, Claudia,Micheloni, Mauro,Nardi, Nicoletta,Valtancoli, Barbara. "Aza-macrocycles bearing lipophilic functions. Their synthesis and selective lithium complexation". . p. 2297 - 2302. Retrieved 2007/10/03.