Methyl 12-aminododecanoate

Base Information

• Chemical Name: Methyl 12-aminododecanoate
• CAS No.: 53005-24-6
• Molecular Formula: C13H27NO2
• Molecular Weight: 229.363
• DSSTox Substance ID: DTXSID90394829
• Nikkaji Number: J3.195.275A
• Wikidata: Q82194466
• Mol file: 53005-24-6.mol

Synonyms:Methyl 12-aminododecanoate;53005-24-6;Dodecanoic acid, 12-amino-, methyl ester;starbld0008242;SCHEMBL905418;12-aminolauric acid methyl ester;DTXSID90394829;NDBSIOZEOQUDBF-UHFFFAOYSA-N;12-aminododecanoic acid methyl ester;CS-0068713;EN300-6747622

Chemical Property of Methyl 12-aminododecanoate

Chemical Property:

• Boiling Point: 304.8±15.0 °C(Predicted)
• PSA: 52.32000
• Density: 0.916±0.06 g/cm3(Predicted)
• LogP: 3.71940
• XLogP3: 3.4
• 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: COC(=O)CCCCCCCCCCCN

Technology Process of Methyl 12-aminododecanoate

There total 10 articles about Methyl 12-aminododecanoate 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: 62.0%

methyl 11-cyanoundec-9-enoate (1395034-03-3) → 11-cyanoundecanoic acid methyl ester (22915-49-7) + methyl 12-aminododecanoate (53005-24-6)

Guidance literature:

With Hoveyda-Grubbs catalyst second generation; potassium tert-butylate; In chlorobenzene; at 80 ℃; for 44h; under 18001.8 Torr; Pressure;

DOI:10.1039/c4ra10980e

Reference yield: 60.0%

Methyl 10-undecenoate (111-81-9) + acrylonitrile (107-13-1,25014-41-9) → 11-cyanoundecanoic acid methyl ester (22915-49-7) + methyl 12-aminododecanoate (53005-24-6)

Guidance literature:

Methyl 10-undecenoate; acrylonitrile; With Hoveyda-Grubbs catalyst second generation; In toluene; at 100 ℃; for 1h;

With potassium tert-butylate; hydrogen; In toluene; at 80 ℃; for 48h; under 15001.5 Torr;

DOI:10.1002/cssc.201200086

Reference yield:

methyl n-dodecanoate (111-82-0) → 12-hydroxydodecanoic acid (505-95-3) + methyl 12-hydroxydodecanoate (71655-36-2) + 1,12-dodecanedioic acid (693-23-2) + 12-methoxy-12-oxododecanoic acid (3903-40-0) + methyl 12-aminododecanoate (53005-24-6) + 12-Aminododecanoic acid (693-57-2)

Guidance literature:

With NADH; In aq. phosphate buffer; Kinetics; Microbiological reaction;

DOI:10.1002/adsc.201200958

upstream raw materials:

C₁₃H₂₁NO₂

undec-10-enenitrile

Methyl 10-undecenoate

acrylonitrile