1-(2-furyl)-N-(1H-1,2,4-triazol-3-yl)methanimine

Base Information

• Chemical Name: 1-(2-furyl)-N-(1H-1,2,4-triazol-3-yl)methanimine
• CAS No.: 89975-90-6
• Molecular Formula: C₇H₆N₄O
• Molecular Weight: 162.151
• NSC Number: 220028
• DSSTox Substance ID: DTXSID10429622
• ChEMBL ID: CHEMBL2260093

Synonyms:89975-90-6;NSC220028;ST50983414;CHEMBL2260093;CCG-328;DTXSID10429622;AKOS024355852;NSC-220028;1-(2-furyl)-N-(1H-1,2,4-triazol-3-yl)methanimine

Chemical Property of 1-(2-furyl)-N-(1H-1,2,4-triazol-3-yl)methanimine

Chemical Property:

• Vapor Pressure: 1.49E-05mmHg at 25°C
• Boiling Point: 366.2°Cat760mmHg
• Flash Point: 175.3°C
• Density: 1.42g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 162.05416083
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C=NC2=NC=NN2
• Isomeric SMILES: C1=COC(=C1)/C=N/C2=NC=NN2

Technology Process of 1-(2-furyl)-N-(1H-1,2,4-triazol-3-yl)methanimine

There total 2 articles about 1-(2-furyl)-N-(1H-1,2,4-triazol-3-yl)methanimine 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: 95.0%

furfural (98-01-1) + 3(5)-amino-1,2,4-triazole (61-82-5) → furan-2-ylmethylene-(1H-1,2,4-triazol-3-yl)amine (89975-90-6)

Guidance literature:

In methanol; for 0.05h; Microwave irradiation; Green chemistry;

DOI:10.21608/EJCHEM.2019.10834.1699

Reference yield:

→ furan-2-ylmethylene-(1H-1,2,4-triazol-3-yl)amine (89975-90-6)

Guidance literature:

3-Amino-1,2,4-triazol, Furfural;

Reference yield:

benzohydroximoyl chloride (698-16-8) + furan-2-ylmethylene-(1H-1,2,4-triazol-3-yl)amine (89975-90-6) → 5-furan-2-yl-3-phenyl-4-(1H-[1,2,4]triazol-3-yl)-4,5-dihydro-[1,2,4]oxadiazole (37716-21-5)

Guidance literature:

Multistep reaction; (i) Et₃N, (ii) /BRN= 606796/;

upstream raw materials:

furfural

3⁽⁵⁾-amino-1,2,4-triazole

Downstream raw materials:

5-furan-2-yl-3-phenyl-4-(1H-[1,2,4]triazol-3-yl)-4,5-dihydro-[1,2,4]oxadiazole

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