2-((1-Oxododecyl)amino)ethanesulphonic acid

Base Information

• Chemical Name: 2-((1-Oxododecyl)amino)ethanesulphonic acid
• CAS No.: 40738-12-3
• Molecular Formula: C14H29NO4S
• Molecular Weight: 307.44936
• European Community (EC) Number: 255-059-7
• UNII: H93TYG73FP
• DSSTox Substance ID: DTXSID60193720
• Nikkaji Number: J294.746C
• Wikidata: Q27225588
• Mol file: 40738-12-3.mol

Synonyms:2-((1-Oxododecyl)amino)ethanesulphonic acid;40738-12-3;Lauryltaurine;2-(dodecanoylamino)ethanesulfonic acid;N-dodecanoyltaurine;H93TYG73FP;N-dodecanoyl-taurine;EINECS 255-059-7;UNII-H93TYG73FP;Ethanesulfonic acid, 2-((1-oxododecyl)amino)-;2-[(1-OXODODECYL)AMINO]ETHANESULFONIC ACID;2-[(1-oxododecyl)amino]ethanesulphonic acid;2-((1-OXODODECYL)AMINO)ETHANESULFONIC ACID;n-lauroyltaurine;N-lauroyl-taurine;SCHEMBL258662;C14H29NO4S;DTXSID60193720;CHEBI:132475;C14-H29-N-O4-S;2-(dodecanoylamino)ethane-1-sulfonic acid;Q27225588

Chemical Property of 2-((1-Oxododecyl)amino)ethanesulphonic acid

Chemical Property:

• PKA: 1.42±0.50(Predicted)
• PSA: 95.34000
• Density: 1.082g/cm³
• LogP: 4.83240
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 307.18172958
• Heavy Atom Count: 20
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)NCCS(=O)(=O)O

Technology Process of 2-((1-Oxododecyl)amino)ethanesulphonic acid

There total 2 articles about 2-((1-Oxododecyl)amino)ethanesulphonic acid 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:

n-dodecanoyl chloride (112-16-3) + Tau (107-35-7) → N-lauroyltaurine (40738-12-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h; Reagent/catalyst; Solvent;

DOI:10.1016/j.molliq.2017.03.064

Reference yield:

lauric acid (143-07-7) → N-lauroyltaurine (40738-12-3)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / dichloromethane / 2 h / 20 °C / Inert atmosphere

2: sodium hydroxide / dichloromethane / 2 h / 20 °C / pH 9 - 10.5

With oxalyl dichloride; sodium hydroxide; In dichloromethane;

DOI:10.1016/j.chemphyslip.2020.104929

upstream raw materials:

n-dodecanoyl chloride

Tau

lauric acid

Refernces

• 1、 Arul Prakash, Sukanya,Kamlekar, Ravi Kanth. "Characterization of the molecular packing, thermotropic phase behaviour and critical micellar concentration of a homologous series of N-acyltaurines (n = 9–18). PXRD, DSC and fluorescence spectroscopic studies". . . Retrieved 2020/06/22.