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

Base Information

Chemical Name:Dimethyl [3-(3-chlorophenyl)-2-oxopropyl]phosphonate
CAS No.:346672-52-4
Molecular Formula:C11H14ClO4P
Molecular Weight:276.657
Hs Code.:
DSSTox Substance ID:DTXSID50514465
Wikidata:Q82374812

Synonyms:346672-52-4;Dimethyl [3-(3-chlorophenyl)-2-oxopropyl]phosphonate;SCHEMBL1036997;DTXSID50514465;OZFANVREVNSDJM-UHFFFAOYSA-N;Dimethyl 3-(3-chlorophenyl)-2-oxopropylphosphonate;[3-(3-Chloro-phenyl)-2-oxo-propyl]-phosphonic acid dimethyl ester;[3-(3-chlorophenyl)-2-oxopropyl]-phosphonic acid dimethyl ester

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

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

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

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:276.0318236
Heavy Atom Count:17
Complexity:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COP(=O)(CC(=O)CC1=CC(=CC=C1)Cl)OC

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

There total 3 articles about Dimethyl [3-(3-chlorophenyl)-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: 83.0%

: 252669-21-9
N-methoxy-N-methyl-2-(3-chlorophenyl)acetamide

: 756-79-6
dimethyl methane phosphonate

: 346672-52-4
[3-(3-chloro-phenyl)-2-oxo-propyl]-phosphonic acid dimethyl ester

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

N-methoxy-N-methyl-2-(3-chlorophenyl)acetamide; In hexane; toluene; at -78 ℃; for 2h; Inert atmosphere;
DOI:10.1248/cpb.59.1523

Reference yield: 26.0%

: 53088-68-9
methyl 3-chlorophenylacetate

: 756-79-6
dimethyl methane phosphonate

: 346672-52-4
[3-(3-chloro-phenyl)-2-oxo-propyl]-phosphonic acid dimethyl ester

Guidance literature:: dimethyl methane phosphonate; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

methyl 3-chlorophenylacetate; In tetrahydrofuran; hexane; at -78 ℃; for 2.16667h;

Reference yield:

: 1878-65-5
3-chlorophenylacetic acid

: 346672-52-4
[3-(3-chloro-phenyl)-2-oxo-propyl]-phosphonic acid dimethyl ester

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