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

Base Information

• Chemical Name: Dimethyl [2-(4-bromophenyl)-2-oxoethyl]phosphonate
• CAS No.: 57057-08-6
• Molecular Formula: C10H12BrO4P
• Molecular Weight: 307.081
• DSSTox Substance ID: DTXSID50601243
• Nikkaji Number: J3.597.210B
• Wikidata: Q82497752

Synonyms:57057-08-6;Dimethyl [2-(4-bromophenyl)-2-oxoethyl]phosphonate;SCHEMBL9548021;DTXSID50601243

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

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 305.96566
• 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)Br)OC

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

There total 3 articles about Dimethyl [2-(4-bromophenyl)-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: 98.0%

Ethyl 4-bromobenzoate (5798-75-4) + dimethyl methane phosphonate (756-79-6) → dimethyl [2-(p-bromophenyl)-2-oxoethyl]phosphonate (57057-08-6)

Guidance literature:

With n-butyllithium; 1,1,1,3,3,3-hexamethyl-disilazane; In tetrahydrofuran; at 5 - 20 ℃; Inert atmosphere;

DOI:10.3762/bjoc.13.149

Reference yield: 58.0%

1-bromo-4-ethenyl-benzene (2039-82-9) + Dimethyl phosphite (868-85-9) → dimethyl [2-(p-bromophenyl)-2-oxoethyl]phosphonate (57057-08-6)

Guidance literature:

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

DOI:10.1016/j.tet.2016.04.013

Reference yield:

4-methoxycarbonylphenyl bromide (619-42-1) + dimethyl methane phosphonate (756-79-6) → dimethyl [2-(p-bromophenyl)-2-oxoethyl]phosphonate (57057-08-6)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -5 - 0 ℃; Inert atmosphere;

DOI:10.1021/ol303105d

upstream raw materials:

4-methoxycarbonylphenyl bromide

dimethyl methane phosphonate

1-bromo-4-ethenyl-benzene

Dimethyl phosphite

Downstream raw materials:

dimethyl (1-acetamido-2-(4-bromophenyl)-2-oxoethyl)phosphonate

dimethyl (1-acetamido-2-(4-bromophenyl)-2-hydroxyethyl)phosphonate

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