Phosphonic acid, (1-methyl-2-oxo-2-phenylethyl)-, diethyl ester

Base Information

• Chemical Name: Phosphonic acid, (1-methyl-2-oxo-2-phenylethyl)-, diethyl ester
• CAS No.: 10409-56-0
• Molecular Formula: C13H19O4P
• Molecular Weight: 270.265
• DSSTox Substance ID: DTXSID00433490
• Nikkaji Number: J579.848E
• Mol file: 10409-56-0.mol

Synonyms:10409-56-0;Phosphonic acid, (1-methyl-2-oxo-2-phenylethyl)-, diethyl ester;Diethyl (1-oxo-1-phenylpropan-2-yl)phosphonate;2-diethoxyphosphoryl-1-phenylpropan-1-one;DTXSID00433490;diethyl a-methylphenacylphosphonate;(1-Benzoylethyl)phosphonic acid diethyl ester;E84572;diethyl 1-methyl-2-oxo-2-phenylethylphosphonate

Chemical Property of Phosphonic acid, (1-methyl-2-oxo-2-phenylethyl)-, diethyl ester

Chemical Property:

• Boiling Point: 156.5-158 °C(Press: 1.5 Torr)
• PSA: 62.41000
• Density: 1.1328 g/cm3
• LogP: 3.52390
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 270.10209608
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(C(C)C(=O)C1=CC=CC=C1)OCC

Technology Process of Phosphonic acid, (1-methyl-2-oxo-2-phenylethyl)-, diethyl ester

There total 11 articles about Phosphonic acid, (1-methyl-2-oxo-2-phenylethyl)-, diethyl ester 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: 82.0%

ethylphosphonic acid diethyl ester (78-38-6) → diethyl 1-benzoylethylphosphonate (10409-56-0)

Guidance literature:

With n-butyllithium; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -60 ℃;

Reference yield: 74.0%

1-Phenylprop-1-yne (673-32-5) + phosphonic acid diethyl ester (762-04-9) → diethyl 1-benzoylethylphosphonate (10409-56-0)

Guidance literature:

With tert.-butylhydroperoxide; tetrakis(acetonitrile)copper(I)tetrafluoroborate; In water; acetonitrile; at 120 ℃; for 0.25h; Microwave irradiation;

DOI:10.1021/acs.joc.1c01763

Reference yield: 70.0%

1-phenylpropene (637-50-3) + phosphonic acid diethyl ester (762-04-9) → diethyl 1-benzoylethylphosphonate (10409-56-0)

Guidance literature:

With copper(ll) sulfate pentahydrate; In acetonitrile; at 60 ℃; for 2h;

upstream raw materials:

diethyl chlorophosphate

2-bromo-1-phenyl-1-propanone

triethyl phosphite

1-phenyl-1-trimethylsiloxypropene

Downstream raw materials:

2-methyl-1-phenylprop-2-en-1-one

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