Diethyl bis(2-hydroxyethyl)aminomethylphosphonate

Base Information

• Chemical Name: Diethyl bis(2-hydroxyethyl)aminomethylphosphonate
• CAS No.: 2781-11-5
• Deprecated CAS: 109223-83-8,163447-57-2,163447-57-2
• Molecular Formula: C9H22NO5P
• Molecular Weight: 255.251
• European Community (EC) Number: 220-482-8
• NSC Number: 82342
• UNII: 920Z48KJ0P
• DSSTox Substance ID: DTXSID2029242
• Nikkaji Number: J299.232I
• Wikidata: Q27271443
• Mol file: 2781-11-5.mol

Synonyms:diethyl N,N-bis(2-hydroxyethyl)aminomethylphosphonate;Fyrol 6

Chemical Property of Diethyl bis(2-hydroxyethyl)aminomethylphosphonate

Chemical Property:

• Appearance/Colour: Clear Yellow-amber Liquid
• Vapor Pressure: 5.11E-08mmHg at 25°C
• Refractive Index: 1.475
• Boiling Point: 398.84 °C at 760 mmHg
• PKA: 14.31±0.10(Predicted)
• Flash Point: 195.011 °C
• PSA: 89.04000
• Density: 1.18 g/cm³
• LogP: 0.49660
• Water Solubility.: 1000g/L
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 255.12355980
• Heavy Atom Count: 16
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL BIS-(2-HYDROXYETHYL)-AMINOMETHYLPHOSPHONATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCOP(=O)(CN(CCO)CCO)OCC

Technology Process of Diethyl bis(2-hydroxyethyl)aminomethylphosphonate

There total 2 articles about Diethyl bis(2-hydroxyethyl)aminomethylphosphonate 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: 98.6%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,2'-iminobis[ethanol] (111-42-2) + phosphonic acid diethyl ester (762-04-9) → N,N-bis(2-hydroxylethyl)aminomethylphosphonic acid diethyl ester (2781-11-5)

Guidance literature:

formaldehyd; 2,2'-iminobis[ethanol]; at 80 - 100 ℃; for 1h;

phosphonic acid diethyl ester; at 60 ℃; for 3h;

Reference yield:

→ N,N-bis(2-hydroxylethyl)aminomethylphosphonic acid diethyl ester (2781-11-5)

Guidance literature:

3-(2-Hydroxyethyl)-oxazolin, Diethylphosphit;

upstream raw materials:

formaldehyd

2,2'-iminobis[ethanol]

phosphonic acid diethyl ester

Refernces