(p-Methoxy-Benzoyl)-phosphonic acid diethyl ester

Base Information

• Chemical Name: (p-Methoxy-Benzoyl)-phosphonic acid diethyl ester
• CAS No.: 16703-95-0
• Molecular Formula: C12H17 O5 P
• Molecular Weight: 272.238
• NSC Number: 83222
• DSSTox Substance ID: DTXSID20937268
• Nikkaji Number: J1.277.179G
• Wikidata: Q82913468
• Mol file: 16703-95-0.mol

Synonyms:diethyl (4-methoxybenzoyl)phosphonate;diethyl 4-methoxybenzoylphosphonate;16703-95-0;(p-Methoxy-Benzoyl)-phosphonic acid diethyl ester;Phosphonic acid, (4-methoxybenzoyl)-, diethyl ester;NSC83222;SCHEMBL4609622;DTXSID20937268;SDVRDVLYLCQGPF-UHFFFAOYSA-N;NSC-83222;AKOS001017318;diethoxyphosphoryl-(4-methoxyphenyl)-methanone;SR-01000026858;SR-01000026858-1

Chemical Property of (p-Methoxy-Benzoyl)-phosphonic acid diethyl ester

Chemical Property:

• Vapor Pressure: 1.54E-05mmHg at 25°C
• Boiling Point: 365.7°Cat760mmHg
• Flash Point: 188.6°C
• Density: 1.176g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 272.08136064
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (p-Methoxy-Benzoyl)-phosphonic acid diethyl ester

There total 11 articles about (p-Methoxy-Benzoyl)-phosphonic acid 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: 97.1%

4-thiocyanatoanisole (5285-90-5) + phosphonic acid diethyl ester (762-04-9) → diethyl (4-methoxybenzoyl)phosphonate (16703-95-0)

Guidance literature:

With formaldehyd; palladium(II) hexafluoroacetylacetonate; 1,3-bis(pyridin-3-yl)propane-1,3-dione; In benzene; at 50 ℃; for 6h; Inert atmosphere; Darkness;

Reference yield: 95.0%

diethyl [1-amine(4-methoxyphenyl)methyl]phosphonate (110470-34-3,110548-53-3,110548-54-4,112564-56-4) → diethyl (4-methoxybenzoyl)phosphonate (16703-95-0)

Guidance literature:

With zinc dichromate trihydrate; at 20 ℃; for 0.166667h; chemoselective reaction; grinding; neat (no solvent);

DOI:10.1055/s-0029-1219174

Reference yield: 94.0%

diethyl (hydroxy(4-methoxyphenyl)methyl)phosphonate (49640-96-2) → diethyl (4-methoxybenzoyl)phosphonate (16703-95-0)

Guidance literature:

With nicotinium dichromate; In acetonitrile; for 0.0833333h; Heating;

DOI:10.1081/SCC-120030697

upstream raw materials:

4-methoxy-benzoyl chloride

triethyl phosphite

diethyl (hydroxy(4-methoxyphenyl)methyl)phosphonate

4-methoxy-benzaldehyde

Downstream raw materials:

[(Ethoxy-phenyl-phosphinoyl)-hydroxy-(4-methoxy-phenyl)-methyl]-phosphonic acid diethyl ester

2-(3,4-dimethyl-3H-thiazol-2-ylidene)-1-(4-methoxy-phenyl)-ethanone

phosphoric acid (N'-benzoyl-N-ethyl-hydrazinocarbonyl)-(4-methoxy-phenyl)-methyl ester diethyl ester

diethyl (hydroxy(4-methoxyphenyl)methyl)phosphonate