Dimethyl (1,3-dioxo-1,3-diphenylpropan-2-yl)phosphonate

Base Information

• Chemical Name: Dimethyl (1,3-dioxo-1,3-diphenylpropan-2-yl)phosphonate
• CAS No.: 93640-50-7
• Molecular Formula: C17H17O5P
• Molecular Weight: 332.293
• DSSTox Substance ID: DTXSID50534805
• Nikkaji Number: J323.991H
• Wikidata: Q82408796
• Mol file: 93640-50-7.mol

Synonyms:93640-50-7;Dimethyl (1,3-dioxo-1,3-diphenylpropan-2-yl)phosphonate;DTXSID50534805

Chemical Property of Dimethyl (1,3-dioxo-1,3-diphenylpropan-2-yl)phosphonate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 332.08136064
• Heavy Atom Count: 23
• Complexity: 426

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2)OC

Technology Process of Dimethyl (1,3-dioxo-1,3-diphenylpropan-2-yl)phosphonate

There total 4 articles about Dimethyl (1,3-dioxo-1,3-diphenylpropan-2-yl)phosphonate 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: 84.0%

1,3-diphenylpropanedione (120-46-7,61346-73-4) + phosphorous acid trimethyl ester (121-45-9) → dimethyl (1,3-dioxo-1,3-diphenylpropan-2-yl)phosphonate (93640-50-7)

Guidance literature:

With dilauryl peroxide; copper(I) bromide; In acetic acid; at 110 ℃; for 0.5h; Reagent/catalyst; Temperature;

DOI:10.1021/acs.joc.8b03093

Reference yield: 36.0%

2-diazo-1,3-diphenylpropane-1,3-dione (2085-31-6) + Dimethyl phosphite (868-85-9) → dimethyl (1,3-dioxo-1,3-diphenylpropan-2-yl)phosphonate (93640-50-7)

Guidance literature:

copper acetylacetonate; In benzene; for 3h; Heating;

DOI:10.1055/s-1990-26924

Reference yield: 16.3%

2-diazo-1,3-diphenylpropane-1,3-dione (2085-31-6) + Dimethyl phosphite (868-85-9) → dimethyl (1,3-dioxo-1,3-diphenylpropan-2-yl)phosphonate (93640-50-7) + 1,3-diphenylpropanedione (120-46-7,61346-73-4)

Guidance literature:

copper(II) sulfate; at 90 ℃;

upstream raw materials:

2-diazo-1,3-diphenylpropane-1,3-dione

Dimethyl phosphite

1,3-diphenylpropanedione

phosphorous acid trimethyl ester