3-({[Bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate

Base Information

• Chemical Name: 3-({[Bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate
• CAS No.: 17773-95-4
• Molecular Formula: C₄₅H₈₀Cl₂NO₇P
• Molecular Weight: 849.012
• NSC Number: 128859
• DSSTox Substance ID: DTXSID80299238

Synonyms:17773-95-4;NSC128859;3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate;DTXSID80299238;NSC-128859

Chemical Property of 3-({[Bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate

Chemical Property:

• Vapor Pressure: 5.21E-26mmHg at 25°C
• Boiling Point: 805.9°Cat760mmHg
• Flash Point: 441.2°C
• Density: 1.05g/cm³
• XLogP3: 17.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 43
• Exact Mass: 847.5049463
• Heavy Atom Count: 56
• Complexity: 949

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

Technology Process of 3-({[Bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate

There total 2 articles about 3-({[Bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate 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:

Phosphorsaeure-(2,3-dihydroxy-propyl)-phenyl-ester-bis-(2-chlor-ethyl)-amid (17773-94-3) + n-hexadecanoyl chloride (112-67-4) → Phosphorsaeure-(2,3-bis-palmitoyloxy-propyl)-phenyl-ester-bis-(2-chlor-ethyl)-amid (17773-95-4)

Guidance literature:

With pyridine;

DOI:10.1021/jm00293a022

Reference yield:

Phosphorsaeure-phenyl-(2,2-dimethyl-<1,3>dioxolan-4-ylmethyl)-ester-bis-(2-chloraethyl)-amid (17773-93-2) → Phosphorsaeure-(2,3-bis-palmitoyloxy-propyl)-phenyl-ester-bis-(2-chlor-ethyl)-amid (17773-95-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl / methanol

2: Py

With pyridine; hydrogenchloride; In methanol;

upstream raw materials:

Phosphorsaeure-(2,3-dihydroxy-propyl)-phenyl-ester-bis-(2-chlor-ethyl)-amid

n-hexadecanoyl chloride

Phosphorsaeure-phenyl-(2,2-dimethyl-<1,3>dioxolan-4-ylmethyl)-ester-bis-(2-chloraethyl)-amid

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