3-{[(2-Bromoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl octadecanoate

Base Information

• Chemical Name: 3-{[(2-Bromoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl octadecanoate
• CAS No.: 18498-22-1
• Molecular Formula: C41H80BrO8P
• Molecular Weight: 811.959
• NSC Number: 79244
• DSSTox Substance ID: DTXSID90291945
• Mol file: 18498-22-1.mol

Synonyms:18498-22-1;3-{[(2-bromoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl octadecanoate;NSC79244;DTXSID90291945;NSC-79244

Chemical Property of 3-{[(2-Bromoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl octadecanoate

Chemical Property:

• Vapor Pressure: 5.71E-26mmHg at 25°C
• Boiling Point: 770°Cat760mmHg
• Flash Point: 419.5°C
• Density: 1.068g/cm³
• XLogP3: 16.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 43
• Exact Mass: 810.47742
• Heavy Atom Count: 51
• Complexity: 815

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCBr)OC(=O)CCCCCCCCCCCCCCCCC

Technology Process of 3-{[(2-Bromoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl octadecanoate

There total 1 articles about 3-{[(2-Bromoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl octadecanoate 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:

2-bromoethylphosphoric acid dichloride (4167-02-6) + DL-α,β-distearin (51063-97-9) → DL-1.2-Distearoyl-glycerin-phosphorsaeure-(3)-mono-2-brom-aethylester (18498-22-1)

Guidance literature:

Multistep reaction; (i) Et₃N, CHCl₃, (ii) aq. KCl;

DOI:10.1002/jlac.19677090125

Reference yield:

DL-1.2-Distearoyl-glycerin-phosphorsaeure-(3)-mono-2-brom-aethylester (18498-22-1) + trimethylamine (75-50-3) → {2-[(2,3-bis-stearoyloxy-propoxy)-hydroxy-phosphoryloxy]-ethyl}-trimethyl-ammonium betaine (816-94-4,4539-70-2,66701-63-1,816-93-3,18603-43-5)

Guidance literature:

upstream raw materials:

2-bromoethylphosphoric acid dichloride

DL-α,β-distearin

Downstream raw materials:

{2-[(2,3-bis-stearoyloxy-propoxy)-hydroxy-phosphoryloxy]-ethyl}-trimethyl-ammonium betaine

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