4-[1-[2-(2,4-Dinitrophenyl)hydrazono]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester

Base Information

• Chemical Name: 4-[1-[2-(2,4-Dinitrophenyl)hydrazono]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
• CAS No.: 5430-87-5
• Molecular Formula: C17H19N5O6
• Molecular Weight: 389.368
• DSSTox Substance ID: DTXSID20969362
• Nikkaji Number: J3.060.843G

Synonyms:DTXSID20969362;4-[1-[2-(2,4-Dinitrophenyl)hydrazono]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester;Ethyl 4-{1-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

Chemical Property of 4-[1-[2-(2,4-Dinitrophenyl)hydrazono]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 5.49E-08mmHg at 25°C
• Boiling Point: 441.3°Cat760mmHg
• Flash Point: 220.7°C
• Density: 1.41g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 389.13353334
• Heavy Atom Count: 28
• Complexity: 631

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(N1)C)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C

Technology Process of 4-[1-[2-(2,4-Dinitrophenyl)hydrazono]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester

There total 3 articles about 4-[1-[2-(2,4-Dinitrophenyl)hydrazono]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 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: 89.0%

Ethyl β-(2,4-dimethyl-5-carboethoxypyrrolyl-3)-β-ketopropionate (52649-04-4) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → β-(2,4-dimethyl-5-ethoxycarbonyl-3-pyrrolyl)-β-ketopropionate 2,4-dinitrophenylhydrazone (87650-51-9) + ethyl 4-{1-[(2,4-dinitrophenyl)-hydrazono]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate (5430-87-5)

Guidance literature:

In ethanol; hydrogen bromide; for 0.5h; Heating; 2).20 deg C for 16 hrs.;

DOI:10.1007/BF00516451

Reference yield: 77.0%

ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate (2386-26-7) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → ethyl 4-{1-[(2,4-dinitrophenyl)-hydrazono]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate (5430-87-5)

Guidance literature:

In ethanol; hydrogen bromide; for 0.5h; Heating;

DOI:10.1007/BF00516451

Reference yield: 49.0%

Ethyl β-(2,4-dimethyl-5-carboethoxypyrrolyl-3)-β-ketopropionate (52649-04-4) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → ethyl 4-{1-[(2,4-dinitrophenyl)-hydrazono]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate (5430-87-5)

Guidance literature:

With hydrogen bromide; In ethanol; for 7.5h; Product distribution; Heating;

DOI:10.1007/BF00516451

upstream raw materials:

ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate

(2,4-dinitro-phenyl)-hydrazine

Ethyl β-(2,4-dimethyl-5-carboethoxypyrrolyl-3)-β-ketopropionate

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