1,4-Dihydro-6-nitroquinoxaline-2,3-dione

Base Information

• Chemical Name: 1,4-Dihydro-6-nitroquinoxaline-2,3-dione
• CAS No.: 2379-56-8
• Molecular Formula: C8H5 N3 O4
• Molecular Weight: 205.13
• European Community (EC) Number: 623-874-0
• Nikkaji Number: J377.401E
• ChEMBL ID: CHEMBL23044
• Mol file: 2379-56-8.mol

Synonyms:6-nitro-1,4-dihydroquinoxaline-2,3-dione

Chemical Property of 1,4-Dihydro-6-nitroquinoxaline-2,3-dione

Chemical Property:

• Vapor Pressure: 8.55E-14mmHg at 25°C
• Melting Point: >300°C (dec.)
• Refractive Index: 1.628
• Boiling Point: 574.4°Cat760mmHg
• PKA: 9.14±0.20(Predicted)
• Flash Point: 301.2°C
• PSA: 112.06000
• Density: 1.555g/cm³
• LogP: 1.47240
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Dimethylformamide
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 207.02800565
• Heavy Atom Count: 15
• Complexity: 324

Purity/Quality:

97% ^*data from raw suppliers

1,4-Dihydro-6-nitroquinoxaline-2,3-dione ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2

Technology Process of 1,4-Dihydro-6-nitroquinoxaline-2,3-dione

There total 18 articles about 1,4-Dihydro-6-nitroquinoxaline-2,3-dione 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: 96.0%

oxalic acid (144-62-7,97993-78-7) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 2,3-dihydroxy-6-nitroquinoxaline (2379-56-8)

Guidance literature:

oxalic acid; With choline chloride; at 100 ℃; for 0.5h;

4-Nitrophenylene-1,2-diamine; at 100 ℃; for 2h;

DOI:10.1080/00304948.2021.2010467

Reference yield: 96.0%

quinoxaline-2,3-dione (15804-19-0,6287-20-3) → 6-nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione (2379-56-8)

Guidance literature:

With sulfuric acid; potassium nitrate; at 20 ℃;

DOI:10.1016/j.bioorg.2014.05.010

Reference yield: 90.0%

Dimethyl oxalate (553-90-2) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 6-nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione (2379-56-8)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 2h;

DOI:10.1080/00397911.2020.1714054

upstream raw materials:

2,3-diethynylquinoxaline

peracetic acid

6-nitroquinoxaline

acetic acid

Downstream raw materials:

6-amino-1,2,3,4-tetrahydroquinoxaline-2,3-dione

2,3-dichloro-6-nitroquinoxaline

7-Nitro-1-phenyl-4a,5,10,11-tetraaza-benzo[b]fluorene

1-Benzyloxy-7-nitro-4a,5,10,11-tetraaza-benzo[b]fluorene