[Bromo(Phenyl)Methyl]Phosphonic Acid

Base Information

Chemical Name:[Bromo(Phenyl)Methyl]Phosphonic Acid
CAS No.:40962-35-4
Molecular Formula:C7H8BrO3P
Molecular Weight:251.016
Hs Code.:
ChEMBL ID:CHEMBL1288333
DSSTox Substance ID:DTXSID40471417
Mol file:40962-35-4.mol

Synonyms:[Bromo(Phenyl)Methyl]Phosphonic Acid;40962-35-4;a-bromobenzylphosphonate;SCHEMBL2418538;CHEMBL1288333;DTXSID40471417;UQMARDZPRCIGET-UHFFFAOYSA-N;AKOS005067097

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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 [Bromo(Phenyl)Methyl]Phosphonic Acid

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:249.93944
Heavy Atom Count:12
Complexity:185

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(P(=O)(O)O)Br

Technology Process of [Bromo(Phenyl)Methyl]Phosphonic Acid

There total 4 articles about [Bromo(Phenyl)Methyl]Phosphonic Acid 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: 85.0%

: 92074-48-1
dimethyl [bromo(phenyl)methyl]phosphonate

: 40962-35-4
[bromo(phenyl)methyl]phosphonic acid

Guidance literature:: dimethyl [bromo(phenyl)methyl]phosphonate; With trimethylsilyl bromide; In dichloromethane; at 20 ℃; for 20h; Inert atmosphere;

With methanol; for 1h;
DOI:10.1016/j.bmc.2010.09.040

Reference yield:

: 100-52-7
benzaldehyde

: 40962-35-4
[bromo(phenyl)methyl]phosphonic acid

Guidance literature:: Multi-step reaction with 3 steps

1: potassium fluoride / 0.42 h / 20 °C / Inert atmosphere

2: sulfurous dibromide / pyridine / dichloromethane / 20 °C / Inert atmosphere; Cooling with ice; sealed flask

3: trimethylsilyl bromide / dichloromethane / 20 h / 20 °C / Inert atmosphere

With potassium fluoride; sulfurous dibromide; trimethylsilyl bromide; pyridine; In dichloromethane;

Reference yield:

: 6329-46-0,79296-54-1,97995-93-2,147731-04-2
dimethyl 1-hydroxy-1-phenylmethylphosphonate

: 40962-35-4
[bromo(phenyl)methyl]phosphonic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sulfurous dibromide / pyridine / dichloromethane / 20 °C / Inert atmosphere; Cooling with ice; sealed flask

2: trimethylsilyl bromide / dichloromethane / 20 h / 20 °C / Inert atmosphere

With sulfurous dibromide; trimethylsilyl bromide; pyridine; In dichloromethane;