Dimethyl [3-(2-methylphenyl)-2-oxopropyl]phosphonate

Base Information

Chemical Name:Dimethyl [3-(2-methylphenyl)-2-oxopropyl]phosphonate
CAS No.:52344-44-2
Molecular Formula:C12H17O4P
Molecular Weight:256.238
Hs Code.:
DSSTox Substance ID:DTXSID30537677
Wikidata:Q82412748

Synonyms:52344-44-2;Dimethyl [3-(2-methylphenyl)-2-oxopropyl]phosphonate;SCHEMBL10815934;DTXSID30537677

Suppliers and Price of Dimethyl [3-(2-methylphenyl)-2-oxopropyl]phosphonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Dimethyl [3-(2-methylphenyl)-2-oxopropyl]phosphonate

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:256.08644602
Heavy Atom Count:17
Complexity:295

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1CC(=O)CP(=O)(OC)OC

Technology Process of Dimethyl [3-(2-methylphenyl)-2-oxopropyl]phosphonate

There total 3 articles about Dimethyl [3-(2-methylphenyl)-2-oxopropyl]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: 61.0%

: 918417-27-3
N-methoxy-N-methyl-2-(2-methylphenyl)acetamide

: 756-79-6
dimethyl methane phosphonate

: 52344-44-2
dimethyl [3-(2-methylphenyl)-2-oxopropane]phosphonate

Guidance literature:: dimethyl methane phosphonate; With n-butyllithium; In hexane; toluene; at -78 ℃; for 1h; Inert atmosphere;

N-methoxy-N-methyl-2-(2-methylphenyl)acetamide; In hexane; toluene; at -78 ℃; for 2h; Inert atmosphere;
DOI:10.1248/cpb.59.1523

Reference yield:

: 644-36-0
o-methylphenylacetic acid

: 52344-44-2
dimethyl [3-(2-methylphenyl)-2-oxopropane]phosphonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / acetonitrile / 1 h / 20 °C / Inert atmosphere

2.1: n-butyllithium / hexane; toluene / 1 h / -78 °C / Inert atmosphere

2.2: 2 h / -78 °C / Inert atmosphere

With n-butyllithium; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In hexane; toluene; acetonitrile;
DOI:10.1248/cpb.59.1523