2-Dimethylaminoethyl Laurate

Base Information

• Chemical Name: 2-Dimethylaminoethyl Laurate
• CAS No.: 34839-10-6
• Molecular Formula: C16H33NO2
• Molecular Weight: 271.4387
• European Community (EC) Number: 609-033-0
• NSC Number: 405542
• DSSTox Substance ID: DTXSID70324043
• Nikkaji Number: J1.259.676F
• Wikidata: Q82083424
• Mol file: 34839-10-6.mol

Synonyms:(N,N)-Dimethyl)ethyl Laurate;34839-10-6;2-Dimethylaminoethyl Laurate;2-(dimethylamino)ethyl dodecanoate;NSC 405542;NSC405542;Dimethylaminoethyl Laurate;SCHEMBL1825177;DTXSID70324043;Dimethyl[2-(dodecanoyloxy)ethyl]amine;AKOS024353547;NSC-405542;2-(N,N-Dimethylamino)ethyl Dodecanoate;BP-29819;Dodecanoic Acid 2-(Dimethylamino)ethyl Ester;FT-0667438;J-019777

Chemical Property of 2-Dimethylaminoethyl Laurate

Chemical Property:

• Vapor Pressure: 6.38E-05mmHg at 25°C
• Boiling Point: 344.9°Cat760mmHg
• PKA: 8.26±0.28(Predicted)
• Flash Point: 98°C
• PSA: 29.54000
• Density: 0.894g/cm³
• LogP: 4.01210
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 271.251129295
• Heavy Atom Count: 19
• Complexity: 205

Purity/Quality:

99.9% ^*data from raw suppliers

(N,N)-Dimethyl)ethylLaurate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OCCN(C)C
• Uses: (N,N)-Dimethyl)ethyl Laurate (cas# 34839-10-6) is a compound useful in organic synthesis.

Technology Process of 2-Dimethylaminoethyl Laurate

There total 5 articles about 2-Dimethylaminoethyl Laurate 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: 78.8%

2-(N,N-dimethylamino)ethanol (108-01-0) + n-dodecanoyl chloride (112-16-3) → dimethylaminoethyl laurate (34839-10-6)

Guidance literature:

With sodium bicarbonate; In chloroform; water;

Reference yield: 61.0%

lauric acid (143-07-7) + 2-(N,N-dimethylamino)ethanol (108-01-0) → dimethylaminoethyl laurate (34839-10-6)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 25 ℃; for 4h;

DOI:10.1016/j.ejmech.2020.113100

Reference yield:

n-dodecanoyl chloride (112-16-3) + 1-Dimethylamino-ethanol (24721-92-4) → dimethylaminoethyl laurate (34839-10-6)

Guidance literature:

With sodium hydrogencarbonate; In methanol; chloroform; water;

upstream raw materials:

2-(N,N-dimethylamino)ethanol

n-dodecanoyl chloride

lauric acid

methyl n-dodecanoate

Refernces

• 1、 Agafonova, Mariya N.,Chirkova, Milana N.,Druk, Anastasia Y.,Grishaev, Denis Y.,Kayumov, Airat R.,Kazakova, Renata R.,Krylova, Elena S.,Nikishova, Tatyana V.,Nikitina, Elena V.,Sabirova, Alina E.,Sapozhnikov, Sergey V.,Shtyrlin, Nikita V.,Shtyrlin, Yurii G.. "Design, synthesis, antibacterial activity and toxicity of novel quaternary ammonium compounds based on pyridoxine and fatty acids". . . Retrieved 2021/01/06.
• 2、 -. "BETAINE ESTERS AND PROCESS FOR MAKING AND USING". Page/Page column 16. . Retrieved 2015/05/19.