9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester

Base Information

• Chemical Name: 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester
• CAS No.: 102390-01-2
• Molecular Formula: C₂₇H₄₅NO₃
• Molecular Weight: 431.659
• Mol file: 102390-01-2.mol

Synonyms:9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester;102390-01-2

Chemical Property of 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester

Chemical Property:

• Vapor Pressure: 9.57E-14mmHg at 25°C
• Boiling Point: 568.1°C at 760 mmHg
• Flash Point: 297.4°C
• Density: 0.994g/cm³
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 431.33994430
• Heavy Atom Count: 31
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC(CNC1=CC=CC=C1)CO
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(CNC1=CC=CC=C1)CO

Technology Process of 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester

There total 2 articles about 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester 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: 7.0%

(Z)-(oxiran-2-yl)methyl octadec-9-enoate (5431-33-4) + aniline (62-53-3) → (Z)-Octadec-9-enoic acid 1-hydroxymethyl-2-phenylamino-ethyl ester (102390-01-2) + 1-oleyl ester of 3-(N-phenylamino)-1,2-propanediol (102390-02-3)

Guidance literature:

In tert-butyl alcohol; for 40h; Heating;

Reference yield:

(Z)-9-octadecenoyl chloride (112-77-6) → (Z)-Octadec-9-enoic acid 1-hydroxymethyl-2-phenylamino-ethyl ester (102390-01-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.00 g / NEt₃ / diethyl ether / 12 h / Ambient temperature

2: 7 percent / 2-methyl-propan-2-ol / 40 h / Heating

With triethylamine; In diethyl ether; tert-butyl alcohol;

upstream raw materials:

(Z)-(oxiran-2-yl)methyl octadec-9-enoate

aniline

(Z)-9-octadecenoyl chloride

Refernces