Methyl 4-hydroxy-4-(4-nitrophenyl)-2-oxobut-3-enoate

Base Information

Chemical Name:Methyl 4-hydroxy-4-(4-nitrophenyl)-2-oxobut-3-enoate
CAS No.:41167-61-7
Molecular Formula:C11H9NO6
Molecular Weight:251.196
Hs Code.:
DSSTox Substance ID:DTXSID50358886
Nikkaji Number:J2.073.336E
Mol file:41167-61-7.mol

Synonyms:methyl 4-hydroxy-4-(4-nitrophenyl)-2-oxobut-3-enoate;41167-61-7;DTXSID50358886

Suppliers and Price of Methyl 4-hydroxy-4-(4-nitrophenyl)-2-oxobut-3-enoate

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Methyl 4-hydroxy-4-(4-nitrophenyl)-2-oxobut-3-enoate

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:251.04298701
Heavy Atom Count:18
Complexity:376

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(=O)C=C(C1=CC=C(C=C1)[N+](=O)[O-])O

Technology Process of Methyl 4-hydroxy-4-(4-nitrophenyl)-2-oxobut-3-enoate

There total 4 articles about Methyl 4-hydroxy-4-(4-nitrophenyl)-2-oxobut-3-enoate 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: 52.0%

: 33560-65-5
oxalic acid tert-butyl ester methyl ester

: 100-19-6
(4-nitrophenyl)ethanone

: 41167-61-7
4-(4-nitrophenyl)-4-oxo-2-hydroxy-2-butenoic acid methyl ester

Guidance literature:: With sodium methylate; In tetrahydrofuran; 1,2-dimethoxyethane; at 20 ℃; for 2h;

Reference yield: 30.0%

: 553-90-2
Dimethyl oxalate

: 100-19-6
(4-nitrophenyl)ethanone

: 41167-61-7
4-(4-nitrophenyl)-4-oxo-2-hydroxy-2-butenoic acid methyl ester

Guidance literature:: With sodium methylate; In tetrahydrofuran; 1,2-dimethoxyethane; at 20 ℃; for 24h;

Reference yield:

: 124-41-4
sodium methylate

: 95-92-1
oxalic acid diethyl ester

: 100-19-6
(4-nitrophenyl)ethanone

: 41167-61-7
4-(4-nitrophenyl)-4-oxo-2-hydroxy-2-butenoic acid methyl ester

Guidance literature:: sodium methylate; oxalic acid diethyl ester; (4-nitrophenyl)ethanone; In methanol; for 3h; Reflux;

With hydrogenchloride; In water;
DOI:10.1021/jm300969t