Dimethyl [(3-nitrophenyl)methyl]phosphonate

Base Information

Chemical Name:Dimethyl [(3-nitrophenyl)methyl]phosphonate
CAS No.:152528-25-1
Molecular Formula:C9H12NO5P
Molecular Weight:245.172
Hs Code.:
DSSTox Substance ID:DTXSID60569981
Wikidata:Q82457261
Mol file:152528-25-1.mol

Synonyms:152528-25-1;Dimethyl [(3-nitrophenyl)methyl]phosphonate;SCHEMBL4923172;DTXSID60569981;JEUMBXRAOMQFLM-UHFFFAOYSA-N;(3-nitro-benzyl)-phosphonic acid dimethyl ester

Suppliers and Price of Dimethyl [(3-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 Dimethyl [(3-nitrophenyl)methyl]phosphonate

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:245.04530948
Heavy Atom Count:16
Complexity:282

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COP(=O)(CC1=CC(=CC=C1)[N+](=O)[O-])OC

Technology Process of Dimethyl [(3-nitrophenyl)methyl]phosphonate

There total 2 articles about Dimethyl [(3-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: 97.0%

: 868-85-9
Dimethyl phosphite

: 3958-57-4
1-bromomethyl-3-nitrobenzene

: 152528-25-1
dimethyl (3-nitrophenyl)methyl phosphonate

Guidance literature:: With sodium hydride; In tetrahydrofuran; for 3h; Ambient temperature;

Reference yield:

: 3958-57-4
1-bromomethyl-3-nitrobenzene

: 121-45-9
phosphorous acid trimethyl ester

: 152528-25-1
dimethyl (3-nitrophenyl)methyl phosphonate

Guidance literature:: at 100 ℃; for 2h;
DOI:10.1021/ja010931q

Reference yield: 88.0%

: 152528-25-1
dimethyl (3-nitrophenyl)methyl phosphonate

: 88174-23-6
2,6-dibromo-4-methylbenzaldehyde

: 865624-21-1
1,3-dibromo-5-methyl-2-[(E)-2-(3-nitro-phenyl)-vinyl]-benzene

Guidance literature:: 2,6-dibromo-4-methylbenzaldehyde; With sodium hydride; In 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; for 0.0833333h;

dimethyl (3-nitrophenyl)methyl phosphonate; In 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; at 0 ℃; for 2h;