Dimethyl [2-(4-chlorophenyl)-2-oxoethyl]phosphonate

Base Information

• Chemical Name: Dimethyl [2-(4-chlorophenyl)-2-oxoethyl]phosphonate
• CAS No.: 51638-00-7
• Molecular Formula: C10H12ClO4P
• Molecular Weight: 262.63
• DSSTox Substance ID: DTXSID10506068
• Nikkaji Number: J3.597.209I
• Wikidata: Q82361635

Synonyms:51638-00-7;Dimethyl [2-(4-chlorophenyl)-2-oxoethyl]phosphonate;SCHEMBL9257364;DTXSID10506068;DTVJJOMLANRONA-UHFFFAOYSA-N;dimethyl 2-p-chlorophenyl-2-oxoethylphosphonate

Chemical Property of Dimethyl [2-(4-chlorophenyl)-2-oxoethyl]phosphonate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 262.0161736
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl [2-(4-chlorophenyl)-2-oxoethyl]phosphonate

There total 5 articles about Dimethyl [2-(4-chlorophenyl)-2-oxoethyl]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: 90.0%

Methyl 4-chlorobenzoate (1126-46-1) + dimethyl methane phosphonate (756-79-6) → dimethyl 2-(4-chlorophenyl)-2-oxoethylphosphonate (51638-00-7)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -20 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01618

Reference yield: 63.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + Dimethyl phosphite (868-85-9) → dimethyl 2-(4-chlorophenyl)-2-oxoethylphosphonate (51638-00-7)

Guidance literature:

With manganese triacetate; In methanol; at 70 ℃; for 1h;

DOI:10.1016/j.tet.2016.04.013

Reference yield:

4-chlorobenzoylmethyl bromide (536-38-9) + phosphorous acid trimethyl ester (121-45-9) → Phosphorsaeure-1-(4-chlorphenyl)vinyl-dimethylester (57057-06-4) + dimethyl 2-(4-chlorophenyl)-2-oxoethylphosphonate (51638-00-7)

Guidance literature:

In nitrobenzene; at 70 ℃; Product distribution; Mechanism; varios solvents, reagents; crossover reactions;;

upstream raw materials:

4-chlorobenzoylmethyl bromide

phosphorous acid trimethyl ester

p-chlorophenacyl chloride

Methyl 4-chlorobenzoate

Downstream raw materials:

C₉H₉ClO₄P^(1-)*Na⁽¹⁺⁾

(S)-dimethyl 1-chloro-1-fluoro-2-(4-chlorophenyl)-2-oxoethylphosphonate

methyl (E)-4-(4-chlorophenyl)-2-methyl-4-oxobut-2-enoate

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