Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate

Base Information

• Chemical Name: Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate
• CAS No.: 5465-68-9
• Molecular Formula: C12H12N2O7
• Molecular Weight: 296.236
• Hs Code.: 2918300090
• NSC Number: 25826
• DSSTox Substance ID: DTXSID90282419
• Nikkaji Number: J108.314G
• Mol file: 5465-68-9.mol

Synonyms:Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate;5465-68-9;Acetoacetic acid, 2-(2,4-dinitrophenyl)-, ethyl ester;Benzeneacetic acid, .alpha.-acetyl-2,4-dinitro-, ethyl ester;NSC25826;SCHEMBL492620;DTXSID90282419;NSC-25826;Benzeneacetic acid,4-dinitro-, ethyl ester;Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate #;Acetoacetic acid,4-dinitrophenyl)-, ethyl ester

Chemical Property of Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 4.76E-08mmHg at 25°C
• Boiling Point: 443.1°Cat760mmHg
• Flash Point: 194.6°C
• PSA: 135.01000
• Density: 1.388g/cm³
• LogP: 2.78510
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 296.06445073
• Heavy Atom Count: 21
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate

There total 10 articles about Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate 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: 98.0%

ethyl acetoacetate (141-97-9) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 2-(2,4-dinitrophenyl)-3-oxobutyric acid ethyl ester (5465-68-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 24h;

Reference yield: 91.19%

ethyl acetoacetate (141-97-9) + 2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → 2-(2,4-dinitrophenyl)-3-oxobutyric acid ethyl ester (5465-68-9)

Guidance literature:

ethyl acetoacetate; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 2h;

2,4-Dinitrofluorobenzene; In tetrahydrofuran; for 1h;

Reference yield: 30.0%

ethyl acetoacetate (141-97-9) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 4,4'-dinitrobiphenyl (1528-74-1) + 2-(2,4-dinitrophenyl)-3-oxobutyric acid ethyl ester (5465-68-9) + nitrobenzene (98-95-3,26969-40-4)

Guidance literature:

With copper(l) iodide; sodium hydride; Yield given. Multistep reaction; 1.) DMF, 2.) 60 deg C, 3 h;;

DOI:10.1246/bcsj.58.1597

upstream raw materials:

2,4-dinitrophenyl phenyl ether

sodium ethyl acetylacetate enolate

2,4-dinitrophenyl 4-methylbenzenesulfonate

2,4-dinitrobromobenzene

Downstream raw materials:

6-amino-2-methyl-1H-indole-3-carboxylic acid ethyl ester

α-(2,4-dinitrophenyl)ethyl acetate

ethyl 2,2-bis(2,4-dinitrophenyl)acetate

carbon dioxide