[(4-Bromomethyl-phenyl)-difluoro-methyl]-phosphonic acid diethyl ester

Base Information

Chemical Name:[(4-Bromomethyl-phenyl)-difluoro-methyl]-phosphonic acid diethyl ester
CAS No.:174678-80-9
Molecular Formula:C12H16BrF2O3P
Molecular Weight:357.132
Hs Code.:
DSSTox Substance ID:DTXSID00443579
Wikidata:Q82261469

Synonyms:[(4-bromomethyl-phenyl)-difluoro-methyl]-phosphonic acid diethyl ester;174678-80-9;SCHEMBL5162409;DTXSID00443579

Suppliers and Price of [(4-Bromomethyl-phenyl)-difluoro-methyl]-phosphonic acid diethyl ester

Supply Marketing:

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

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Chemical Property of [(4-Bromomethyl-phenyl)-difluoro-methyl]-phosphonic acid diethyl ester

Chemical Property:

PSA：45.34000
LogP:4.89690
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:355.99885
Heavy Atom Count:19
Complexity:310

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOP(=O)(C(C1=CC=C(C=C1)CBr)(F)F)OCC

Technology Process of [(4-Bromomethyl-phenyl)-difluoro-methyl]-phosphonic acid diethyl ester

There total 13 articles about [(4-Bromomethyl-phenyl)-difluoro-methyl]-phosphonic acid diethyl ester 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: 73.0%

: 185965-95-1
(difluoro-p-tolylmethyl)phosphonic acid diethyl ester

: 174678-80-9
diethyl [(4-α-bromomethyl)phenyldifluoromethyl]-phosphonate

Guidance literature:: With N-Bromosuccinimide;
DOI:10.1016/S0040-4039(97)00027-0

Reference yield:

: 185965-95-1
(difluoro-p-tolylmethyl)phosphonic acid diethyl ester

: 174678-80-9
diethyl [(4-α-bromomethyl)phenyldifluoromethyl]-phosphonate

: 4-{(diethoxyphosphoryl)(difluoro)methyl}benzyl dibromide

Guidance literature:: With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 90 ℃; for 3h;
DOI:10.1016/S0040-4020(98)00586-9

Reference yield:

: 65094-22-6
diethyl (bromodifluoromethyl)phosphonate

: 174678-80-9
diethyl [(4-α-bromomethyl)phenyldifluoromethyl]-phosphonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: Cd / dimethylformamide / 4 h

1.2: 82 percent / CuCl / dimethylformamide / 12 h / 20 °C

2.1: N-bromosuccinimide / benzene / 1.5 h / Irradiation

With N-Bromosuccinimide; cadmium; In N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm010266w