Tetraethyl (4-oxo-3,4-diphenylbutylidene)bisphosphonate

Base Information

• Chemical Name: Tetraethyl (4-oxo-3,4-diphenylbutylidene)bisphosphonate
• CAS No.: 141790-32-1
• Molecular Formula: C24H34 O7 P2
• Molecular Weight: 496.4701
• DSSTox Substance ID: DTXSID60931200
• Nikkaji Number: J557.297E
• ChEMBL ID: CHEMBL440643

Synonyms:141790-32-1;Tetraethyl (4-oxo-3,4-diphenylbutylidene)bisphosphonate;U-82579;Phosphonic acid, (4-oxo-3,4-diphenylbutylidene)bis-, tetraethyl ester;CHEMBL440643;SCHEMBL8831977;DTXSID60931200;C24H34O7P2;C24-H34-O7-P2;LS-106726;Tetraethyl (4-oxo-3,4-diphenylbutane-1,1-diyl)bis(phosphonate)

Chemical Property of Tetraethyl (4-oxo-3,4-diphenylbutylidene)bisphosphonate

Chemical Property:

• Vapor Pressure: 4.27E-15mmHg at 25°C
• Boiling Point: 615.8°C at 760 mmHg
• Flash Point: 338.9°C
• Density: 1.177g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 496.17797741
• Heavy Atom Count: 33
• Complexity: 622

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(CC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)OCC

Technology Process of Tetraethyl (4-oxo-3,4-diphenylbutylidene)bisphosphonate

There total 2 articles about Tetraethyl (4-oxo-3,4-diphenylbutylidene)bisphosphonate 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: 61.0%

phenyl benzyl ketone (451-40-1) + 1,1-bis(diethylphosphono)ethylene (37465-31-9) → (4-oxo-3,4-diphenylbutylidene)bisphosphonic acid tetraethyl ester (141790-32-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 50 ℃; for 40h;

DOI:10.1021/jm00052a004

Reference yield:

→ (4-oxo-3,4-diphenylbutylidene)bisphosphonic acid tetraethyl ester (141790-32-1)

Guidance literature:

Reference yield:

(4-oxo-3,4-diphenylbutylidene)bisphosphonic acid tetraethyl ester (141790-32-1) → (4-Oxo-3,4-diphenylbutylidene)bisphosphonic acid diethylester disodium salt

Guidance literature:

With sodium iodide; In methanol; butanone;

upstream raw materials:

phenyl benzyl ketone

1,1-bis(diethylphosphono)ethylene

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