2-Diethoxyphosphorylethyl acetate

Base Information

• Chemical Name: 2-Diethoxyphosphorylethyl acetate
• CAS No.: 15300-97-7
• Molecular Formula: C8H17O5P
• Molecular Weight: 224.194
• DSSTox Substance ID: DTXSID10499502
• Wikidata: Q82350323
• Mol file: 15300-97-7.mol

Synonyms:15300-97-7;2-diethoxyphosphorylethyl acetate;DiethylAcetoxyethylphosphonate;diethylphosphonoethyl acetate;diethoxyphosphinylethyl acetate;SCHEMBL751991;(diethoxyphosphoryl)ethyl acetate;diethyl 2-acetoxyethylphosphonate;DTXSID10499502;TUJWGDXCTRWVDC-UHFFFAOYSA-N;2-(Diethoxyphosphoryl)ethyl acetate;AKOS037621549;2-acetoxyethane phosphonic acid diethyl ester

Chemical Property of 2-Diethoxyphosphorylethyl acetate

Chemical Property:

• Vapor Pressure: 0.00163mmHg at 25°C
• Boiling Point: 294.4oC at 760 mmHg
• Flash Point: 145.7oC
• PSA: 71.64000
• Density: 1.115g/cm3
• LogP: 1.81560
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 224.08136064
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

≥95% ^*data from raw suppliers

DiethylAcetoxyethylphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CCOC(=O)C)OCC
• Uses: Diethyl Acetoxyethylphosphonate is an intermediate in the synthesis of 11β,21-Dihydroxy-6α-methylpregna-1,4,17(20)-trien-3-one 21-Acetate (D453515), which is an impurity of 6α-Methyl Prednisolone 21-Acetate (M326030); a compound that is used as a glucocorticoid.

Technology Process of 2-Diethoxyphosphorylethyl acetate

There total 4 articles about 2-Diethoxyphosphorylethyl acetate 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: 86.0%

vinyl acetate (108-05-4,9003-20-7) + phosphonic acid diethyl ester (762-04-9) → diethylphosphonoethyl acetate (15300-97-7)

Guidance literature:

With 2-tert-butylperoxy-2-methylpentan-4-one; at 135 - 140 ℃; for 0.5h;

DOI:10.1007/BF00758439

Reference yield:

bromoethyl acetate (927-68-4) + triethyl phosphite (122-52-1) → diethylphosphonoethyl acetate (15300-97-7)

Guidance literature:

DOI:10.1021/ja01565a054 DOI:10.1021/ja01604a018

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + phosphonic acid diethyl ester (762-04-9) + dibenzoyl peroxide (94-36-0) → diethylphosphonoethyl acetate (15300-97-7)

Guidance literature:

DOI:10.1021/ja01565a054

upstream raw materials:

vinyl acetate

phosphonic acid diethyl ester

dibenzoyl peroxide

bromoethyl acetate

Downstream raw materials:

ethene

ethyl acetate

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