4-Chloro-alpha-bromo-benzyl-phosphonic acid diethyl ester

Base Information

Chemical Name:4-Chloro-alpha-bromo-benzyl-phosphonic acid diethyl ester
CAS No.:74917-62-7
Molecular Formula:C11H15BrClO3P
Molecular Weight:341.569
Hs Code.:
DSSTox Substance ID:DTXSID401177218
Nikkaji Number:J1.055.188I

Synonyms:SCHEMBL11316425;YYXDRGYZRCICCZ-UHFFFAOYSA-N;DTXSID401177218;4-chloro-alpha-bromo-benzyl-phosphonic acid diethyl ester;Phosphonic acid, [bromo(4-chlorophenyl)methyl]-, diethyl ester;74917-62-7

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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 4-Chloro-alpha-bromo-benzyl-phosphonic acid diethyl ester

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:339.96307
Heavy Atom Count:17
Complexity:259

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOP(=O)(C(C1=CC=C(C=C1)Cl)Br)OCC

Technology Process of 4-Chloro-alpha-bromo-benzyl-phosphonic acid diethyl ester

There total 3 articles about 4-Chloro-alpha-bromo-benzyl-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: 98.0%

: 108054-54-2,20641-28-5
diethyl (4-chlorophenyl)(hydroxy)methylphosphonate

: 74917-62-7
diethyl α-bromo-4-chlorobenzylphosphonate

Guidance literature:: With tetrabutylammomium bromide; triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 20 ℃; for 8.5h;
DOI:10.1016/j.tet.2003.10.058

Reference yield:

: [bromo-(4-chloro-phenyl)-trimethylsilanyl-methyl]-phosphonic acid diethyl ester

: 74917-62-7
diethyl α-bromo-4-chlorobenzylphosphonate

Guidance literature:: With lithium ethoxide; In ethanol; at 0 ℃; for 0.25h; Yield given;
DOI:10.1016/S0040-4020(99)00037-X

Reference yield:

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 74917-62-7
diethyl α-bromo-4-chlorobenzylphosphonate

Guidance literature:: Multi-step reaction with 3 steps

1: 5 h / 150 °C

2: 1.) n-BuLi, HMDS, 2.) BrCl₂C-CCl₂Br / 1.) hexane, THF, -78 deg C -> 20 deg C; 20 deg C, 15 min, 2.) THF, -78 deg C, 15 min; -78 deg C -> 0 deg C

3: EtOLi / ethanol / 0.25 h / 0 °C

With n-butyllithium; 1,2-dibromo-1,1,2,2-tetrachloroethane; lithium ethoxide; 1,1,1,3,3,3-hexamethyl-disilazane; In ethanol;
DOI:10.1016/S0040-4020(99)00037-X