[1,2]Oxazolo[4,5-B]quinoxaline

Base Information

• Chemical Name: [1,2]Oxazolo[4,5-B]quinoxaline
• CAS No.: 14094-93-0
• Molecular Formula: C₉H₅N₃O
• Molecular Weight: 171.158
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30562742
• Wikidata: Q82447008
• Mol file: 14094-93-0.mol

Synonyms:14094-93-0;Isoxazolo[4,5-b]quinoxaline;[1,2]OXAZOLO[4,5-B]QUINOXALINE;Isoxazolo[4,5-b]quinoxaline (8CI,9CI);DTXSID30562742

Chemical Property of [1,2]Oxazolo[4,5-B]quinoxaline

Chemical Property:

• PSA: 51.81000
• LogP: 1.77100
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 171.043261791
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C3C=NOC3=N2

Technology Process of [1,2]Oxazolo[4,5-B]quinoxaline

There total 3 articles about [1,2]Oxazolo[4,5-B]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: 40.0%

2-quinoxalinecarboxaldehyde oxime (7483-32-1) → Isoxazolo<4.5-b>chinoxalin (14094-93-0)

Guidance literature:

With potassium permanganate; In acetone; at 50 ℃;

DOI:10.1023/B:RUCB.0000011876.37291.0e

Reference yield:

Quinoxaline-2-carboxaldehyde (1593-08-4) → Isoxazolo<4.5-b>chinoxalin (14094-93-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / hydroxylamine hydrochloride; sodium acetate / H₂O / 0.17 h / 70 - 75 °C

2: 40 percent / KMnO₄ / acetone / 50 °C

With potassium permanganate; hydroxylamine hydrochloride; sodium acetate; In water; acetone;

DOI:10.1023/B:RUCB.0000011876.37291.0e

Reference yield:

3-Chloro-quinoxaline-2-carbaldehyde oxime (92810-58-7) → 3-chloro-2-quinoxalinecarbonitrile (40254-89-5) + Isoxazolo<4.5-b>chinoxalin (14094-93-0)

Guidance literature:

Heating;

upstream raw materials:

3-Chloro-quinoxaline-2-carbaldehyde oxime

2-quinoxalinecarboxaldehyde oxime

Quinoxaline-2-carboxaldehyde

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