2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile

Base Information

• Chemical Name: 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
• CAS No.: 61875-40-9
• Molecular Formula: C9H5N3O2
• Molecular Weight: 185.13900
• ChEMBL ID: CHEMBL342289
• DSSTox Substance ID: DTXSID10408316
• Nikkaji Number: J578.319D
• Wikidata: Q82213760
• Mol file: 61875-40-9.mol

Synonyms:61875-40-9;2,3-DIOXO-1,2,3,4-TETRAHYDROQUINOXALINE-6-CARBONITRILE;2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile;6-CYANOQUINOXALINE-2,3-DIONE;6-Cyano-2,3-dihydroxyquinoxaline;6-Cyano-1,4-dihydro-2,3-quinoxalinedione;SCHEMBL118018;CHEMBL342289;SCHEMBL8558339;DTXSID10408316;NBOKWKXETLTPQV-UHFFFAOYSA-N;AKOS006307858;FT-0665308;2,3-Dioxo-1,2,3,4-tetrahydro-quinoxaline-6-carbonitrile

Chemical Property of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile

Chemical Property:

• Vapor Pressure: 3.01E-13mmHg at 25°C
• Melting Point: >300oC
• Boiling Point: 562.3oC at 760 mmHg
• Flash Point: 293.8oC
• PSA: 82.65000
• Density: 1.51g/cm3
• LogP: -2.26452
• Storage Temp.: -20?C Freezer
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.038176411
• Heavy Atom Count: 14
• Complexity: 330

Purity/Quality:

98%Min ^*data from raw suppliers

6-Cyanoquinoxaline-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C#N)NC(=O)C(=O)N2
• Uses: 6-Cyanoquinoxaline-2,3-dione is a useful synthetic intermediate

Technology Process of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile

There total 6 articles about 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-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: 90.0%

→ 6-cyanoquinoxaline-2(1H),3(4H)-dione (61875-40-9)

Guidance literature:

Reference yield:

4-cyano-1,2-phenylenediamine (17626-40-3) + oxalic acid (144-62-7,97993-78-7) → 6-Cyano-2,3-dihydroxy-quinoxaline (61875-40-9)

Guidance literature:

With hydrogenchloride; In water; for 2h; Reflux;

DOI:10.1002/jhet.56

Reference yield:

4-cyano-1,2-phenylenediamine (17626-40-3) + oxalic acid diethyl ester (95-92-1) → 6-cyanoquinoxaline-2(1H),3(4H)-dione (61875-40-9)

Guidance literature:

In acetic acid;

upstream raw materials:

quinoxaline-6-carbonitrile

4-cyano-1,2-phenylenediamine

oxalic acid diethyl ester

4-Amino 3-nitro-benzonitrile

Downstream raw materials:

2,3-dichloroquinoxaline-6-carbonitrile