Phosphonic acid, [3-(4-methoxyphenyl)-2-oxopropyl]-, dimethyl ester

Base Information

• Chemical Name: Phosphonic acid, [3-(4-methoxyphenyl)-2-oxopropyl]-, dimethyl ester
• CAS No.: 52344-42-0
• Molecular Formula: C12H17O5P
• Molecular Weight: 272.238
• DSSTox Substance ID: DTXSID90464834
• Nikkaji Number: J1.625.082A
• Wikidata: Q82290346
• Mol file: 52344-42-0.mol

Synonyms:52344-42-0;Phosphonic acid, [3-(4-methoxyphenyl)-2-oxopropyl]-, dimethyl ester;SCHEMBL3970824;DTXSID90464834

Chemical Property of Phosphonic acid, [3-(4-methoxyphenyl)-2-oxopropyl]-, dimethyl ester

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 272.08136064
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC(=O)CP(=O)(OC)OC

Technology Process of Phosphonic acid, [3-(4-methoxyphenyl)-2-oxopropyl]-, dimethyl ester

There total 2 articles about Phosphonic acid, [3-(4-methoxyphenyl)-2-oxopropyl]-, dimethyl 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:

ethyl p-methoxyphenylacetate (14062-18-1) + dimethyl methane phosphonate (756-79-6) → dimethyl 2-oxo-3-(p-methoxyphenyl)propylphosphonate (52344-42-0)

Guidance literature:

dimethyl methane phosphonate; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

ethyl p-methoxyphenylacetate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/adsc.201100230

Reference yield:

→ dimethyl 2-oxo-3-(p-methoxyphenyl)propylphosphonate (52344-42-0)

Guidance literature:

Methyl-dimethylphosphonat, p-Methoxyphenyl-methylacetat, n-BuLi;

Reference yield: 90.0%

2-Aminonicotinaldehyde (7521-41-7) + dimethyl 2-oxo-3-(p-methoxyphenyl)propylphosphonate (52344-42-0) → 2-(4-methoxyphenyl)methyl-1,8-naphthyridine

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1021/ol006785v

upstream raw materials:

ethyl p-methoxyphenylacetate

dimethyl methane phosphonate

Downstream raw materials:

2-(4-methoxyphenyl)-1-((2S,3R)-3-propyloxiran-2-yl)ethanone

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