(4-Methanesulfonylbenzyl)phosphonic acid diethyl ester

Base Information

Chemical Name:(4-Methanesulfonylbenzyl)phosphonic acid diethyl ester
CAS No.:53605-96-2
Molecular Formula:C12H19O5PS
Molecular Weight:306.32
Hs Code.:
DSSTox Substance ID:DTXSID20560070
Nikkaji Number:J517.203I
Wikidata:Q82443047

Synonyms:53605-96-2;(4-methanesulfonylbenzyl)phosphonic acid diethyl ester;Diethyl 4-(Methylsulfonyl)benzylphosphonate;SCHEMBL1575569;DTXSID20560070;ZKRBWPZOSYJIKA-UHFFFAOYSA-N;diethyl 4-methylsulfonylbenzylphosphonate;SY309671;Diethyl {[4-(methanesulfonyl)phenyl]methyl}phosphonate

Suppliers and Price of (4-Methanesulfonylbenzyl)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-Methanesulfonylbenzyl)phosphonic acid diethyl ester

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:306.06908187
Heavy Atom Count:19
Complexity:396

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOP(=O)(CC1=CC=C(C=C1)S(=O)(=O)C)OCC

Technology Process of (4-Methanesulfonylbenzyl)phosphonic acid diethyl ester

There total 8 articles about (4-Methanesulfonylbenzyl)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: 95.0%

: 762-04-9
phosphonic acid diethyl ester

: 53606-06-7
4-(methylsulfonyl)benzyl bromide

: 53605-96-2
diethyl (4-(methylsulfonyl)benzyl)phosphonate

Guidance literature:: phosphonic acid diethyl ester; With sodium hydride; In N,N-dimethyl-formamide; for 0.5h; Cooling with ice; Inert atmosphere;

4-(methylsulfonyl)benzyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 8.5h; Inert atmosphere;
DOI:10.1021/acs.joc.7b03148

Reference yield: 66.0%

: 118578-86-2
diethyl 4-(methylmercapto)benzyl phosphonate

: 53605-96-2
diethyl (4-(methylsulfonyl)benzyl)phosphonate

Guidance literature:: With dihydrogen peroxide; In acetic acid; for 2h; Heating;
DOI:10.1021/ja00176a001

Reference yield:

: 874-87-3
1-(chloromethyl)-4-methylthiobenzene

: 53605-96-2
diethyl (4-(methylsulfonyl)benzyl)phosphonate

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / 2 h / Heating

2: 66 percent / 30percent aq. H₂O₂ / acetic acid / 2 h / Heating

With dihydrogen peroxide; In acetic acid;
DOI:10.1021/ja00176a001