Diethyl 1-chloro-(4-tolyl)-methylphosphonate

Base Information

Chemical Name:Diethyl 1-chloro-(4-tolyl)-methylphosphonate
CAS No.:104561-47-9
Molecular Formula:C₁₂H₁₈ClO₃P
Molecular Weight:276.7
Hs Code.:
DSSTox Substance ID:DTXSID901167181
Nikkaji Number:J974.466E

Synonyms:diethyl 1-chloro-(4-tolyl)-methylphosphonate;SCHEMBL9483480;RVZGNOSEHPXTID-UHFFFAOYSA-N;DTXSID901167181;104561-47-9;diethyl 1-chloro-1(4-tolyl)-methylphosphonate;diethyl 1-chloro-1-(4 -tolyl)-methylphosphonate;diethyl 1-chloro-1-(4-tolyl)-methylphosphonate;Phosphonic acid, P-[chloro(4-methylphenyl)methyl]-, diethyl ester

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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 Diethyl 1-chloro-(4-tolyl)-methylphosphonate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:276.0682091
Heavy Atom Count:17
Complexity:255

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Diethyl 1-chloro-(4-tolyl)-methylphosphonate

There total 4 articles about Diethyl 1-chloro-(4-tolyl)-methylphosphonate 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%

: 209626-99-3
(Chloro-p-tolyl-trimethylsilanyl-methyl)-phosphonic acid diethyl ester

: 104561-47-9
diethyl α-chloro-4-methylbenzylphosphonate

Guidance literature:: With lithium hydroxide; In water; at 0 ℃;
DOI:10.1016/S0040-4039(98)00648-0

Reference yield: 80.0%

: 79158-40-0
diethyl hydroxy(p-tolyl)methylphosphonate

: 104561-47-9
diethyl α-chloro-4-methylbenzylphosphonate

Guidance literature:: With tetrachloromethane; triphenylphosphine; at 80 ℃; for 8h; Inert atmosphere;
DOI:10.1055/s-0029-1217564

Reference yield:

: 3762-25-2
diethyl 4-methylbenzylphosphonate

: 104561-47-9
diethyl α-chloro-4-methylbenzylphosphonate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi, HMDS, 2.) Cl₃C-CCl₃ / 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

2: EtOLi / ethanol / 0.25 h / 0 °C

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