N,N'-(Iminodiethylene)dioleamide

Base Information

• Chemical Name: N,N'-(Iminodiethylene)dioleamide
• CAS No.: 16445-01-5
• Deprecated CAS: 1846552-71-3
• Molecular Formula: C40H77 N3 O2
• Molecular Weight: 632.07
• European Community (EC) Number: 240-496-8,260-981-8
• DSSTox Substance ID: DTXSID401014652
• Nikkaji Number: J296.807J
• Mol file: 16445-01-5.mol

Synonyms:N,N'-(Iminodiethylene)dioleamide;16445-01-5;EINECS 240-496-8;EINECS 260-981-8;57843-21-7;9-Octadecenoic acid (9Z)-, diamide with N-(2-aminoethyl)-1,2-ethanediamine;C40H77N3O2;9-Octadecenamide, N,N'-(iminodi-2,1-ethanediyl)bis-, (Z,Z)-;Dioleic acid, diamide with N-(2-aminoethyl)ethane-1,2-diamine;9-Octadecenamide, N,N'-(iminodi-2,1-ethanediyl)bis-, (9Z,9'Z)-;9-Octadecenoic acid (9Z)-, diamide with N1-(2-aminoethyl)-1,2-ethanediamine;C40-H77-N3-O2;SCHEMBL2220077;DTXSID401014652;N,N'-(Iminobisethylene)di(oleic amide);N,N'-(azanediylbis(ethane-2,1-diyl))dioleamide;W-110433;9-Octadecenoic acid (Z)-, diamide with N-(2-aminoethyl)-1,2-ethanediamine

Chemical Property of N,N'-(Iminodiethylene)dioleamide

Chemical Property:

• Boiling Point: 761.5°Cat760mmHg
• Flash Point: 102.1°C
• Density: 0.907g/cm³
• XLogP3: 13.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 36
• Exact Mass: 631.60157871
• Heavy Atom Count: 45
• Complexity: 621

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCNC(=O)CCCCCCC/C=C\CCCCCCCC

Technology Process of N,N'-(Iminodiethylene)dioleamide

There total 5 articles about N,N'-(Iminodiethylene)dioleamide 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:

cis-Octadecenoic acid (112-80-1,2027-47-6) + 3-azapentane-1,5-diamine (111-40-0,98824-35-2) + stearic acid (57-11-4) → C40H79N3O2 + N,N'-(3-aza-pentanediyl)-bis-stearamide (10220-90-3) + N,N'-(3-aza-pentanediyl)-bis-oleamide (16445-01-5)

Guidance literature:

at 160 ℃; for 3h;

Reference yield:

C45H85N3O4 → N,N'-(3-aza-pentanediyl)-bis-oleamide (16445-01-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃;

DOI:10.1016/j.bmc.2015.07.005

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) → N,N'-(3-aza-pentanediyl)-bis-oleamide (16445-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 0 °C

1.2: 20 °C

2.1: trifluoroacetic acid / dichloromethane / 0 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/j.bmc.2015.07.005

upstream raw materials:

cis-Octadecenoic acid

3-azapentane-1,5-diamine

stearic acid

Refernces

• 1、 -. "Amineoxide Type Surfactant and Detergent Composition Comprising It". Page/Page column 5. . Retrieved 2008/06/13.