[1,2,5]Oxadiazolo[3,4-f]quinoxaline

Base Information

• Chemical Name: [1,2,5]Oxadiazolo[3,4-f]quinoxaline
• CAS No.: 71630-83-6
• Molecular Formula: C₈H₄N₄O
• Molecular Weight: 172.146
• DSSTox Substance ID: DTXSID40562516
• Wikidata: Q82446713
• Mol file: 71630-83-6.mol

Synonyms:[1,2,5]Oxadiazolo[3,4-f]quinoxaline;71630-83-6;DTXSID40562516

Chemical Property of [1,2,5]Oxadiazolo[3,4-f]quinoxaline

Chemical Property:

• Melting Point: 164-165 °C(Solv: ethanol (64-17-5))
• Boiling Point: 339.5±45.0 °C(Predicted)
• PKA: -4.38±0.50(Predicted)
• PSA: 64.70000
• Density: 1.518±0.06 g/cm3(Predicted)
• LogP: 1.16600
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 172.03851076
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NON=C2C3=NC=CN=C31

Technology Process of [1,2,5]Oxadiazolo[3,4-f]quinoxaline

There total 6 articles about [1,2,5]Oxadiazolo[3,4-f]quinoxaline 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: 75.0%

benzo[1,2-c;3,4-c']bis[1,2,5]oxadiazole (211-15-4) + ethanolamine (141-43-5) → <1,2,5>oxadiazolo<3,4-f>quinoxaline (71630-83-6)

Guidance literature:

With toluene-4-sulfonic acid; at 100 - 120 ℃; for 12h;

DOI:10.1007/s11172-007-0400-x

Reference yield: 57.1%

4,5-diamino-2,1,3-benzoxadiazole (70015-83-7) → <1,2,5>oxadiazolo<3,4-f>quinoxaline (71630-83-6)

Guidance literature:

In 1,4-dioxane; water; for 4h; Ambient temperature;

DOI:10.1002/hlca.19900730417

Reference yield:

spiro-imidazo<4,5-e>-2,1,3-benzoxadiazole>-1'-oxide (130256-98-3) → <1,2,5>oxadiazolo<3,4-f>quinoxaline (71630-83-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 47.9 percent / Na₂S₂O₄ / dioxane; H₂O / 1 h

2: 57.1 percent / dioxane; H₂O / 4 h / Ambient temperature

With sodium dithionite; In 1,4-dioxane; water;

DOI:10.1002/hlca.19900730417

upstream raw materials:

4,5-diamino-2,1,3-benzoxadiazole

spiro-imidazo<4,5-e>-2,1,3-benzoxadiazole>-1'-oxide

2,3-dihydro-5-nitro-4-(phenylthio)spiro<1H-benzimidazole-2,1'-cyclohexane>

5-nitro-4-(phenylthio)spiro<2H-benzimidazole-2,1'-cyclohexane>

Downstream raw materials:

quinoxaline-5,6-diamine