Ethyl alpha-acetyl-2-nitrobenzenepropanoate

Base Information

Chemical Name:Ethyl alpha-acetyl-2-nitrobenzenepropanoate
CAS No.:95314-61-7
Molecular Formula:C13H15NO5
Molecular Weight:265.266
Hs Code.:
DSSTox Substance ID:DTXSID501281270

Synonyms:Ethyl alpha-acetyl-2-nitrobenzenepropanoate;95314-61-7;SCHEMBL960746;DTXSID501281270

Suppliers and Price of Ethyl alpha-acetyl-2-nitrobenzenepropanoate

Supply Marketing:

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

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Chemical Property of Ethyl alpha-acetyl-2-nitrobenzenepropanoate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:265.09502258
Heavy Atom Count:19
Complexity:349

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C

Technology Process of Ethyl alpha-acetyl-2-nitrobenzenepropanoate

There total 4 articles about Ethyl alpha-acetyl-2-nitrobenzenepropanoate 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: 100.0%

: 141-97-9
ethyl acetoacetate

: 612-23-7
2-nitrobenzyl chloride

: 95314-61-7
1-(ethoxycarbonyl)-1-(o-nitrobenzyl)-2-propanone

Guidance literature:: With sodium hydride; In 1,2-dimethoxyethane; at 0 - 80 ℃; for 3h;

Reference yield: 91.0%

: 141-97-9
ethyl acetoacetate

: 3958-60-9
2-nitrophenylmethyl bromide

: 95314-61-7
1-(ethoxycarbonyl)-1-(o-nitrobenzyl)-2-propanone

Guidance literature:: ethyl acetoacetate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.75h;

2-nitrophenylmethyl bromide; In tetrahydrofuran; mineral oil; at 20 ℃;

Reference yield:

: 141-97-9
ethyl acetoacetate

: 3958-60-9
2-nitrophenylmethyl bromide

: C₁₃H₁₅NO₅

: 95314-61-7
1-(ethoxycarbonyl)-1-(o-nitrobenzyl)-2-propanone

Guidance literature:: ethyl acetoacetate; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1h;

2-nitrophenylmethyl bromide; In tetrahydrofuran; at 20 ℃; Overall yield = 92 %; Overall yield = 0.73 g;
DOI:10.1039/c4ob02441a