5-Amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-oxadiazole

Base Information

• Chemical Name: 5-Amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-oxadiazole
• CAS No.: 21959-57-9
• Molecular Formula: C₈H₆N₄O₄
• Molecular Weight: 222.16
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40860423
• Mol file: 21959-57-9.mol

Synonyms:5-Amino-3-((5-nitro-2-furyl)vinyl)-1,2,4-oxadiazole;S 18506;S-18506;S18506;SQ 18 506;SQ 18506;SQ-18506;SQ18506

Chemical Property of 5-Amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-oxadiazole

Chemical Property:

• Vapor Pressure: 5.77E-08mmHg at 25°C
• Boiling Point: 440.7°Cat760mmHg
• Flash Point: 220.3°C
• PSA: 124.63000
• Density: 1.6g/cm³
• LogP: 1.77670
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 222.03890469
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

5-AMINO-3-((5-NITRO-2-FURYL)VINYL)-1,2,4-OXADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=CC2=NOC(=N2)N

Technology Process of 5-Amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-oxadiazole

There total 2 articles about 5-Amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-oxadiazole 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:

5-nitrofurane-2-carboxaldehyde (698-63-5) + 3-methyl-5-amino-1,2,4-oxadiazole (3663-39-6) → 3-[2-(5-nitro-furan-2-yl)-vinyl]-[1,2,4]oxadiazol-5-ylamine (21959-57-9,28754-68-9)

Guidance literature:

Multistep reaction; (i) Ac₂O, AcOH, (ii) aq. HCl, EtOH;

DOI:10.1021/jm00269a015

Reference yield:

→ 3-[2-(5-nitro-furan-2-yl)-vinyl]-[1,2,4]oxadiazol-5-ylamine (21959-57-9,28754-68-9)

Guidance literature:

3-<2-(5-Nitro-2-furyl)vinyl>-5-trichlormethyloxdiazol, NH3;

upstream raw materials:

5-nitrofurane-2-carboxaldehyde

3-methyl-5-amino-1,2,4-oxadiazole