1,3-Dioxo-3,4-dihydro-1lambda~5~-quinoxaline-2-carbonitrile

Base Information

• Chemical Name: 1,3-Dioxo-3,4-dihydro-1lambda~5~-quinoxaline-2-carbonitrile
• CAS No.: 31055-87-5
• Molecular Formula: C₉H₅N₃O₂
• Molecular Weight: 187.158
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80401399
• NSC Number: 251910
• Wikidata: Q82204491
• Mol file: 31055-87-5.mol

Synonyms:31055-87-5;3, 1-OXIDE;SCHEMBL19219787;DTXSID80401399;2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-,1-oxide(7CI,8CI,9CI);NSC251910;NSC-251910;1,2-dihydro-2-oxoquinoxaline-3-carbonitrile-4-oxide;1,3-Dioxo-3,4-dihydro-1lambda~5~-quinoxaline-2-carbonitrile

Chemical Property of 1,3-Dioxo-3,4-dihydro-1lambda~5~-quinoxaline-2-carbonitrile

Chemical Property:

• PSA: 82.11000
• LogP: 0.82828
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.038176411
• Heavy Atom Count: 14
• Complexity: 352

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=O)C(=[N+]2[O-])C#N

Technology Process of 1,3-Dioxo-3,4-dihydro-1lambda~5~-quinoxaline-2-carbonitrile

There total 2 articles about 1,3-Dioxo-3,4-dihydro-1lambda~5~-quinoxaline-2-carbonitrile 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:

→ 3-Hydroxy-2-cyan-chinoxalin-1-oxid (31055-87-5)

Guidance literature:

N-(2-Cyan-acetyl)-2-nitro-anilin, Pyridin, wss. Natronlauge;

DOI:10.1016/S0040-4020(01)98976-8

Reference yield:

→ 2-Cyan-3,4-dihydro-3-oxo-chinoxalin-1-oxid (31055-87-5)

Guidance literature:

Cyanessigsaeure-(2-nitro-anilid) in A. + wss. Na-Cyanid (50-60grad).;

DOI:10.1039/jr9640002666

Reference yield:

2-Cyan-3,4-dihydro-3-oxo-chinoxalin-1-oxid (31055-87-5) → Cdk 1/5 Inhibitor (40254-90-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 45 percent / POCl₃ / dimethylformamide; toluene / 2 h / Heating

2: 93 percent / ethanol / 0.5 h / Heating

3: 0.03 g / PCl₃ / 1 h / Heating

With trichlorophosphate; phosphorus trichloride; In ethanol; N,N-dimethyl-formamide; toluene;

Downstream raw materials:

Cdk 1/5 Inhibitor

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