Ethyl 11-aminoundecanoate

Base Information

• Chemical Name: Ethyl 11-aminoundecanoate
• CAS No.: 15351-28-7
• Molecular Formula: C13H27NO2
• Molecular Weight: 229.363
• DSSTox Substance ID: DTXSID60526110
• Nikkaji Number: J81.848H
• Wikidata: Q82394283
• Mol file: 15351-28-7.mol

Synonyms:ethyl 11-aminoundecanoate;11-Aminoundecanoic acid ethyl ester;15351-28-7;SCHEMBL2970687;DTXSID60526110;QHNDMDXXMVBFTM-UHFFFAOYSA-N;EN300-6747015

Chemical Property of Ethyl 11-aminoundecanoate

Chemical Property:

• PSA: 52.32000
• LogP: 3.71940
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 229.204179104
• Heavy Atom Count: 16
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCCCN

Technology Process of Ethyl 11-aminoundecanoate

There total 4 articles about Ethyl 11-aminoundecanoate 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: 97.8%

ethyl 11-aminoundecanoate hydrochloride (3350-21-8) → 11-aminoundecanoic acid ethyl ester (15351-28-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12.5h;

Reference yield: 96.0%

ethyl 11-azidoundecanoate → 11-aminoundecanoic acid ethyl ester (15351-28-7)

Guidance literature:

ethyl 11-azidoundecanoate; With triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 8h;

With water; In tetrahydrofuran; for 16h;

DOI:10.1002/cmdc.201900577

Reference yield: 58.0%

ethanol (64-17-5) + 11-aminoundecanoic acid (2432-99-7,25587-80-8,84029-94-7) → 11-aminoundecanoic acid ethyl ester (15351-28-7)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.3390/11010081

upstream raw materials:

ethanol

11-aminoundecanoic acid

11-bromoundecanoic acid ethyl ester

ethyl 11-aminoundecanoate hydrochloride

Downstream raw materials:

N-(ethyl 11-undecanoate)-N’,N”-di(n-decyl)benzene-1,3,5-tricarboxamide

C₇₈H₉₆N₈O₁₁