Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate

Base Information

• Chemical Name: Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate
• CAS No.: 5249-31-0
• Molecular Formula: C₉H₁₄N₂O₄
• Molecular Weight: 214.221
• DSSTox Substance ID: DTXSID70966922
• Wikidata: Q82949369
• Mol file: 5249-31-0.mol

Synonyms:5249-31-0;ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate;Oprea1_316623;Oprea1_750304;DTXSID70966922;STL320825;AKOS022108538;SR-01000200917;SR-01000200917-1;N-[4-(Ethoxycarbonyl)phenyl]-1-methyl-4-nitro-1H-pyrazole-5-carboximidic acid

Chemical Property of Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate

Chemical Property:

• Vapor Pressure: 4.97E-08mmHg at 25°C
• Boiling Point: 442.6°C at 760 mmHg
• Flash Point: 221.5°C
• Density: 1.4g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 318.09641956
• Heavy Atom Count: 23
• Complexity: 459

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=NN2C)[N+](=O)[O-]

Technology Process of Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate

There total 2 articles about Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate 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:

1-(3-hydroxy-propionyl)-4-methyl-piperazine-2,5-dione (19136-64-2) + methyl iodide (74-88-4) → 9a-Methoxy-4,7-dioxo-8-methyl-perhydro-pyrazino<2,1-b>-1,3-oxazin (5249-31-0)

Guidance literature:

With silver(l) oxide; for 3h;

DOI:10.1016/S0040-4020(01)96972-8

Reference yield:

→ 9a-Methoxy-4,7-dioxo-8-methyl-perhydro-pyrazino<2,1-b>-1,3-oxazin (5249-31-0)

Guidance literature:

1-Methyl-4-(3-hydroxy-propionyl)-2,5-dioxo-piperazin, CH3I, Ag2O/Dioxan (24h, 20grad);

upstream raw materials:

1-(3-hydroxy-propionyl)-4-methyl-piperazine-2,5-dione

methyl iodide

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