Ethyl 3-(2-nitrophenyl)-3-oxopropanoate

Base Information

Chemical Name:Ethyl 3-(2-nitrophenyl)-3-oxopropanoate
CAS No.:52119-39-8
Molecular Formula:C11H11NO5
Molecular Weight:237.212
Hs Code.:29183000
DSSTox Substance ID:DTXSID50441787
Nikkaji Number:J169.151A
Wikidata:Q82258729
Mol file:52119-39-8.mol

Synonyms:ethyl 3-(2-nitrophenyl)-3-oxopropanoate;52119-39-8;Ethyl 2-nitrobenzoylacetate;ETHYL(2-NITROBENZOYL)ACETATE;MFCD03424821;ethyl o-nitrobenzoylacetate;SCHEMBL954897;ethyl 2-(o-nitrobenzoyl)acetate;ethyl 2-(2-nitrobenzoyl)acetate;DTXSID50441787;ethyl 2-(o-nitrobenzoyl)-acetate;OWZNCVIBJQPNEF-UHFFFAOYSA-N;Ethyl 2-nitrobenzoylacetate, 97%;CCA11939;ethyl (2-NITROBENZOYL)ACETATE;AC7979;ethyl ((2-NITROBENZOYL)ACETATE;2-Nitrobenzoylacetic acid ethyl ester;AKOS009268991;AC-7785;AS-64012;BP-12915;SY122687;CS-0151622;FT-0689881;A871062

Suppliers and Price of Ethyl 3-(2-nitrophenyl)-3-oxopropanoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
Ethyl 2-nitrobenzoylacetate
1 g
$ 208.00

Sigma-Aldrich
Ethyl 2-nitrobenzoylacetate 97%
5g
$ 285.00

Crysdot
Ethyl3-(2-nitrophenyl)-3-oxopropanoate 95+%
10g
$ 474.00

Alichem
Ethyl3-(2-nitrophenyl)-3-oxopropanoate
5g
$ 241.28

AK Scientific
Ethyl3-(2-nitrophenyl)-3-oxopropanoate
5g
$ 492.00

Acrotein
Ethyl 2-nitrobenzoylacetate 97%
1g
$ 132.00

Acrotein
Ethyl 2-nitrobenzoylacetate 97%
0.5g
$ 84.33

Total 15 raw suppliers

Chemical Property of Ethyl 3-(2-nitrophenyl)-3-oxopropanoate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:30-34 °C(lit.)
Refractive Index:1.542
Boiling Point:353.28 °C at 760 mmHg
PKA:9.42±0.46(Predicted)
Flash Point:155.31 °C
PSA：89.19000
Density:1.277 g/cm³
LogP:2.25390
Storage Temp.:2-8°C
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:237.06372245
Heavy Atom Count:17
Complexity:310

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-nitrobenzoylacetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-]
Uses Ethyl 2-nitrobenzoylacetate may be used to synthesize ethyl 2-bromo-2′-nitrobenzoylacetate and 4-hydroxy-2(1H)-quinolone.

Technology Process of Ethyl 3-(2-nitrophenyl)-3-oxopropanoate

There total 14 articles about Ethyl 3-(2-nitrophenyl)-3-oxopropanoate 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: 85.0%

: 106718-56-3
diethyl 2-(2-nitro-benzoyl)malonate

: 52119-39-8
ethyl (2-nitrobenzoyl)acetate

Guidance literature:: With toluene-4-sulfonic acid; In water; for 6h; Reflux;
DOI:10.1016/j.cclet.2011.05.030

Reference yield: 82.0%

: 552-16-9,104810-18-6
ortho-nitrobenzoic acid

: 6148-64-7
ethyl potassium malonate

: 52119-39-8
ethyl (2-nitrobenzoyl)acetate

Guidance literature:: ethyl potassium malonate; With magnesium chloride; In acetonitrile; at 35 ℃; for 0.75h;

With triethylamine; In acetonitrile; at 25 ℃;

ortho-nitrobenzoic acid; With 1,1'-carbonyldiimidazole; In acetonitrile; at 35 ℃; for 1.5h;
DOI:10.1002/jhet.2931