1-Methyl-3-(5-nitrofuran-2-yl)-1h-1,2,4-triazol-5-amine

Base Information

• Chemical Name: 1-Methyl-3-(5-nitrofuran-2-yl)-1h-1,2,4-triazol-5-amine
• CAS No.: 1600-63-1
• Molecular Formula: C₇H₇N₅O₃
• Molecular Weight: 209.164
• NSC Number: 102625
• DSSTox Substance ID: DTXSID50295525
• Wikidata: Q82035486
• Mol file: 1600-63-1.mol

Synonyms:1600-63-1;1-methyl-3-(5-nitrofuran-2-yl)-1h-1,2,4-triazol-5-amine;NSC102625;DTXSID50295525;NSC-102625

Chemical Property of 1-Methyl-3-(5-nitrofuran-2-yl)-1h-1,2,4-triazol-5-amine

Chemical Property:

• Vapor Pressure: 5.75E-09mmHg at 25°C
• Boiling Point: 468.9°Cat760mmHg
• Flash Point: 237.4°C
• Density: 1.79g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 209.05488910
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])N

Technology Process of 1-Methyl-3-(5-nitrofuran-2-yl)-1h-1,2,4-triazol-5-amine

There total 2 articles about 1-Methyl-3-(5-nitrofuran-2-yl)-1h-1,2,4-triazol-5-amine 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:

→ 2-methyl-5-(5-nitro-furan-2-yl)-2H-[1,2,4]triazol-3-ylamine (1600-63-1)

Guidance literature:

A) aus entspr. Triazolderivat durch Nitrierung (Meth. A), b) aus Triazol (Ia) durch Methylierung (Meth. F);

DOI:10.1021/jm00262a002

Reference yield:

→ 2-Methyl-5-(5-nitro-furan-2-yl)-2,4-dihydro-[1,2,4]triazol-3-ylideneamine (1600-63-1)

Guidance literature:

Entspr. Formamidin-N-methylguanidin, Δ;

Reference yield:

2-methyl-5-(5-nitro-furan-2-yl)-2H-[1,2,4]triazol-3-ylamine (1600-63-1) → N-[2-methyl-5-(5-nitro-furan-2-yl)-2H-[1,2,4]triazol-3-yl]-acetamide (10187-79-8)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂O

In water;

DOI:10.1021/jm00262a002

Downstream raw materials:

N-[2-methyl-5-(5-nitro-furan-2-yl)-2H-[1,2,4]triazol-3-yl]-diacetamide

[2-methyl-5-(5-nitro-furan-2-yl)-2H-[1,2,4]triazol-3-ylamino]-methanol

N-[2-methyl-5-(5-nitro-furan-2-yl)-2H-[1,2,4]triazol-3-yl]-acetamide