1,3-Di(cis-9-octadecenoyl)-2-hexadecanoylglycerol

Base Information

• Chemical Name: 1,3-Di(cis-9-octadecenoyl)-2-hexadecanoylglycerol
• CAS No.: 1716-07-0
• Molecular Formula: C55H102 O6
• Molecular Weight: 859.411
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID60393127
• Mol file: 1716-07-0.mol

Synonyms:1,3-Di(cis-9-octadecenoyl)-2-hexadecanoylglycerol;DTXSID60393127;C55H102O6;AKOS030241947;PD121727;FT-0667616

Chemical Property of 1,3-Di(cis-9-octadecenoyl)-2-hexadecanoylglycerol

Chemical Property:

• Vapor Pressure: 9.37E-26mmHg at 25°C
• Melting Point: 19 °C
• Refractive Index: 1.473
• Boiling Point: 802.2°C at 760 mmHg
• Flash Point: 298.4°C
• PSA: 78.90000
• Density: 0.919g/cm³
• LogP: 17.54090
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly), Methanol (S
• XLogP3: 22.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 52
• Exact Mass: 858.76764097
• Heavy Atom Count: 61
• Complexity: 933

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dioleoyl-2-palmitoylglycerol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
• Uses: 1,3-DIOLEOYL-2-PALMITOYL-GLYCEROL is a triglyceride for use in making human milk replacements.

Technology Process of 1,3-Di(cis-9-octadecenoyl)-2-hexadecanoylglycerol

There total 18 articles about 1,3-Di(cis-9-octadecenoyl)-2-hexadecanoylglycerol 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: 90.0%

2-bromo-1-(bromomethyl)ethyl palmitate (7739-59-5) + (E)-Octadec-9-enoatetris-decyl-methyl-ammonium; → 1,3-dioleoyl-2-palmitoylglycerol (1716-07-0)

Guidance literature:

In toluene; for 4h; Heating;

DOI:10.1039/P29830001553

Reference yield: 89.6%

1,3-diolein (2465-32-9,98168-52-6) + n-hexadecanoyl chloride (112-67-4) → 1,3-dioleoyl-2-palmitoylglycerol (1716-07-0)

Guidance literature:

With pyridine; at 60 ℃;

DOI:10.1023/A:1016285801824

Reference yield: 72.0%

1,3-diolein (2465-32-9,98168-52-6) + 1-hexadecylcarboxylic acid (57-10-3) → 1,3-dioleoyl-2-palmitoylglycerol (1716-07-0)

Guidance literature:

2-hydroxypropane-1,3-diyl dioleate; With dmap; N-[3-(N,N-dimethylamino)-propyl]-N'-ethyl-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 0.0833333h;

1-hexadecylcarboxylic acid; In dichloromethane; Solvent; Temperature; Reagent/catalyst;

upstream raw materials:

1,3-diolein

n-hexadecanoyl chloride

2-bromo-1-(bromomethyl)ethyl palmitate

cis-Octadecenoic acid

Downstream raw materials:

1,3-di-O-oleoyl-2-O-palmitoylglycerol

Refernces

• 1、 Lisa, Miroslav,Velinska, Hana,Holcapek, Michal. "Regioisomeric characterization of triacylglycerols using silver-ion HPLC/MS and randomization synthesis of standards". experimental part. p. 3903 - 3910. Retrieved 2010/03/23.
• 2、 Xu, Yichuan,Brenna, J. Thomas. "Atmospheric pressure covalent adduct chemical ionization tandem mass spectrometry for double bond localization in monoene- and diene-containing triacylglycerols". . p. 2525 - 2536. Retrieved 2008/01/04.