Diethyl [(4-cyano-2-nitrophenyl)methyl]phosphonate

Base Information

Chemical Name:Diethyl [(4-cyano-2-nitrophenyl)methyl]phosphonate
CAS No.:90178-77-1
Molecular Formula:C12H15N2O5P
Molecular Weight:298.235
Hs Code.:
DSSTox Substance ID:DTXSID50531096
Wikidata:Q82402687

Synonyms:90178-77-1;Diethyl [(4-cyano-2-nitrophenyl)methyl]phosphonate;DTXSID50531096

Suppliers and Price of Diethyl [(4-cyano-2-nitrophenyl)methyl]phosphonate

Supply Marketing:

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

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Chemical Property of Diethyl [(4-cyano-2-nitrophenyl)methyl]phosphonate

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:298.07185858
Heavy Atom Count:20
Complexity:417

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOP(=O)(CC1=C(C=C(C=C1)C#N)[N+](=O)[O-])OCC

Technology Process of Diethyl [(4-cyano-2-nitrophenyl)methyl]phosphonate

There total 2 articles about Diethyl [(4-cyano-2-nitrophenyl)methyl]phosphonate 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: 79.0%

: 90178-76-0
4-Cyan-2-nitrobenzyliodid

: 122-52-1
triethyl phosphite

: 90178-77-1
Diethyl-(4-cyan-2-nitrobenzyl)phosphonat

Guidance literature:: In toluene; for 1.5h; Heating;
DOI:10.1002/jlac.198419840302

Reference yield:

: 90178-80-6
4-(chloromethyl)-3-nitrobenzonitrile

: 90178-77-1
Diethyl-(4-cyan-2-nitrobenzyl)phosphonat

Guidance literature:: Multi-step reaction with 2 steps

1: 76 percent / NaI / acetone / 6 h

2: 79 percent / toluene / 1.5 h / Heating

With sodium iodide; In acetone; toluene;
DOI:10.1002/jlac.198419840302