6,7-Difluoroquinoxaline-2,3(1H,4H)-dione

Base Information

• Chemical Name: 6,7-Difluoroquinoxaline-2,3(1H,4H)-dione
• CAS No.: 91895-29-3
• Molecular Formula: C8H4F2N2O2
• Molecular Weight: 198.129
• Hs Code.: 2933998090
• European Community (EC) Number: 829-397-6
• DSSTox Substance ID: DTXSID10356383
• Wikidata: Q82135691
• ChEMBL ID: CHEMBL136692
• Mol file: 91895-29-3.mol

Synonyms:91895-29-3;6,7-Difluoroquinoxaline-2,3(1H,4H)-dione;6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione;6,7-Difluoro-1,4-dihydro-2,3-quinoxalinedione;6,7-difluoroquinoxaline-2,3-diol;6,7-difluoro-1,2,3,4-tetrahydroquinoxaline-2,3-dione;SCHEMBL123451;CHEMBL136692;SCHEMBL8121964;SCHEMBL10846210;DTXSID10356383;KFUMSIBOUBHLIJ-UHFFFAOYSA-N;MFCD00907424;SC5103;AKOS022421133;2,3-dihydroxy-6,7-difluoroquinoxaline;DL-0722;CS-0155479;A916315

Chemical Property of 6,7-Difluoroquinoxaline-2,3(1H,4H)-dione

Chemical Property:

• PSA: 65.72000
• LogP: 0.49460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 198.02408370
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

97% ^*data from raw suppliers

6,7-Difluoro-1,4-dihydroquinoxaline-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1F)F)NC(=O)C(=O)N2

Technology Process of 6,7-Difluoroquinoxaline-2,3(1H,4H)-dione

There total 4 articles about 6,7-Difluoroquinoxaline-2,3(1H,4H)-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: 100.0%

2-amino-4,5-difluoroaniline (76179-40-3) + oxalic acid diethyl ester (95-92-1) → 6,7-difluoro-1,4-dihydro-2,3-quinoxalinedione (91895-29-3)

Guidance literature:

for 16h; Heating;

DOI:10.1021/jm00170a031

Reference yield: 68.0%

oxalic acid (144-62-7,97993-78-7) + 2-amino-4,5-difluoroaniline (76179-40-3) → 2,3-dihydroxy-6,7-difluoroquinoxaline (91895-29-3)

Guidance literature:

In N,N-dimethyl-formamide; at 120 ℃;

DOI:10.3390/molecules26113163

Reference yield:

2-amino-4,5-difluoroaniline (76179-40-3) + oxalic acid diethyl ester (95-92-1) → 2,3-dihydroxy-6,7-difluoroquinoxaline (91895-29-3)

Guidance literature:

for 24h; Yield given; Heating;

DOI:10.1016/S0223-5234(99)80019-1

upstream raw materials:

2-amino-4,5-difluoroaniline

oxalic acid diethyl ester

oxalic acid

Downstream raw materials:

2,3-dichloro-6,7-difluoroquinoxaline