5-(4-methoxy-2-nitroanilino)-2H-triazole-4-carboxamide

Base Information

• Chemical Name: 5-(4-methoxy-2-nitroanilino)-2H-triazole-4-carboxamide
• CAS No.: 304874-10-0
• Molecular Formula: C₁₀H₁₀N₆O₄
• Molecular Weight: 278.227
• DSSTox Substance ID: DTXSID201165865
• ChEMBL ID: CHEMBL466611

Synonyms:CHEMBL466611;DTXSID201165865;BDBM50412680;304874-10-0;5-[(4-Methoxy-2-nitrophenyl)amino]-1H-1,2,3-triazole-4-carboxamide

Chemical Property of 5-(4-methoxy-2-nitroanilino)-2H-triazole-4-carboxamide

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 278.07635282
• Heavy Atom Count: 20
• Complexity: 375

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)NC2=NNN=C2C(=O)N)[N+](=O)[O-]

Technology Process of 5-(4-methoxy-2-nitroanilino)-2H-triazole-4-carboxamide

There total 3 articles about 5-(4-methoxy-2-nitroanilino)-2H-triazole-4-carboxamide 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: 23.0%

1-azido-4-methoxy-2-nitrobenzene (10336-13-7) + cyanoacetic acid amide (107-91-5) → 4-carboxamido-5-(2-nitro-4-methoxy-anilino)-1,2,3-triazole (304874-10-0)

Guidance literature:

1-azido-4-methoxy-2-nitrobenzene; cyanoacetic acid amide; With sodium ethanolate; In ethanol; at -10 - 20 ℃;

With sodium hydroxide; for 0.166667h; Heating;

DOI:10.1002/jhet.5570390628

Reference yield:

1-azido-4-methoxy-2-nitrobenzene (10336-13-7) → 4-carboxamido-5-(2-nitro-4-methoxy-anilino)-1,2,3-triazole (304874-10-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaOEt / ethanol

1.2: ethanol / -10 - 20 °C

2.1: aq. NaOH / Heating

With sodium hydroxide; sodium ethanolate; In ethanol; 1.1: Addition / 1.2: Cycloaddition / 2.1: Dimroth rearrangement;

DOI:10.1016/S0223-5234(00)00180-X

Reference yield:

1-(2-nitro-4-methoxy-phenyl)-4-carboxamido-5-amino-1H-1,2,3-triazole (521959-53-5) → 4-carboxamido-5-(2-nitro-4-methoxy-anilino)-1,2,3-triazole (304874-10-0)

Guidance literature:

With sodium hydroxide; Heating;

DOI:10.1016/S0223-5234(00)00180-X

upstream raw materials:

1-(2-nitro-4-methoxy-phenyl)-4-carboxamido-5-amino-1H-1,2,3-triazole

1-azido-4-methoxy-2-nitrobenzene

cyanoacetic acid amide

Downstream raw materials:

5-(2-amino-4-methoxy-phenylamino)-1H-[1,2,3]triazole-4-carboxylic acid amide

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