3-Oxo-3lambda~5~-[1,2,5]oxadiazolo[3,4-b]pyridine

Base Information

• Chemical Name: 3-Oxo-3lambda~5~-[1,2,5]oxadiazolo[3,4-b]pyridine
• CAS No.: 27808-53-3
• Molecular Formula: C5H3N3O2
• Molecular Weight: 137.09600
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60507449
• Mol file: 27808-53-3.mol

Synonyms:27808-53-3;3-Oxo-3lambda~5~-[1,2,5]oxadiazolo[3,4-b]pyridine;DTXSID60507449;AKOS006326447

Chemical Property of 3-Oxo-3lambda~5~-[1,2,5]oxadiazolo[3,4-b]pyridine

Chemical Property:

• Melting Point: 52 °C
• Boiling Point: 269.1±32.0 °C(Predicted)
• PKA: 1.03±0.50(Predicted)
• PSA: 64.38000
• Density: 1.71±0.1 g/cm3(Predicted)
• LogP: 0.65130
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 137.022526347
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NO[N+](=C2N=C1)[O-]

Technology Process of 3-Oxo-3lambda~5~-[1,2,5]oxadiazolo[3,4-b]pyridine

There total 3 articles about 3-Oxo-3lambda~5~-[1,2,5]oxadiazolo[3,4-b]pyridine 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: 90.0%

3-amino-2-nitropyridine (13269-19-7) → pyrido<2,3-c>furoxane (27808-53-3)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In benzene; at 80 ℃; for 12.5h;

DOI:10.1071/CH9920371

Reference yield: 80.0%

2-nitro-3-azidopyridine (28664-54-2) → pyrido<2,3-c>furoxane (27808-53-3)

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1007/BF00505694

Reference yield:

1,2,5-Oxadiazolo<3,4-b>pyridin-1-oxid (27808-52-2) → pyrido<2,3-c>furoxane (27808-53-3)

Guidance literature:

In acetone; at -40.15 ℃; Equilibrium constant;

DOI:10.1002/1099-1395(200008)13:8<480::AID-POC268>3.0.CO;2-Z

upstream raw materials:

3-amino-2-nitropyridine

2-nitro-3-azidopyridine

1,2,5-Oxadiazolo<3,4-b>pyridin-1-oxid

Downstream raw materials:

1,2,5-Oxadiazolo<3,4-b>pyridin-1-oxid

2-nitro-3-amino-6-methoxypyridine

N²,N²-Diethyl-6-nitro-pyridine-2,5-diamine

2,5-diamino-6-nitropyridine

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