ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate

Base Information

• Chemical Name: ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate
• CAS No.: 15966-46-8
• Molecular Formula: C₁₂H₁₂N₄O₄
• Molecular Weight: 276.252
• DSSTox Substance ID: DTXSID901172570
• ChEMBL ID: CHEMBL1485404
• Mol file: 15966-46-8.mol

Synonyms:15966-46-8;ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate;ethyl 5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate;MLS000695153;CHEMBL1485404;DTXSID901172570;HMS2648G14;MFCD00173062;AKOS005079981;12G-347S;SMR000333588;ethyl5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate

Chemical Property of ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 276.08585488
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate

There total 3 articles about ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate 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-(4-nitrophenyl)-3-ethoxycarbonyl-4-ethylideneamino-5-methyl-1,2,4-Δ2-triazoline (113854-50-5) → 1-(4-Nitro-phenyl)-5-methyl-1,2,4-triazol-carbonsaeure-(3)-aethylester (15966-46-8)

Guidance literature:

at 150 ℃; for 1h;

Reference yield:

hydrochloride of ethyl oxalate 4-nitrophenylhydrazone → 1-(4-Nitro-phenyl)-5-methyl-1,2,4-triazol-carbonsaeure-(3)-aethylester (15966-46-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / (C₂H₅)3N

2: 0.2 g / 1 h / 150 °C

With triethylamine;

Reference yield:

→ 1-(4-Nitro-phenyl)-5-methyl-1,2,4-triazol-carbonsaeure-(3)-aethylester (15966-46-8)

Guidance literature:

N-Acetyl-oxamidsaeure-aethylester-(4-nitro-phenylhydrazon), sd. Acetanhydrid.;

upstream raw materials:

1-(4-nitrophenyl)-3-ethoxycarbonyl-4-ethylideneamino-5-methyl-1,2,4-Δ²-triazoline

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