6-Chloroquinoxaline-2,3-diol

Base Information

• Chemical Name: 6-Chloroquinoxaline-2,3-diol
• CAS No.: 6639-79-8
• Molecular Formula: C8H5 Cl N2 O2
• Molecular Weight: 196.593
• Hs Code.: 29334900
• European Community (EC) Number: 229-647-9
• NSC Number: 48940
• DSSTox Substance ID: DTXSID8064436
• Nikkaji Number: J298.029K
• Wikidata: Q72466553
• ChEMBL ID: CHEMBL21641
• Mol file: 6639-79-8.mol

Synonyms:6,7-dichloroquinoxaline-2,3-dione;DCQX

Chemical Property of 6-Chloroquinoxaline-2,3-diol

Chemical Property:

• Melting Point: 250℃
• PKA: 9.59±0.20(Predicted)
• PSA: 66.24000
• Density: 1.475±0.06 g/cm3(Predicted)
• LogP: 1.69440
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.0039551
• Heavy Atom Count: 13
• Complexity: 257

Purity/Quality:

99%, ^*data from raw suppliers

6-Chloroquinoxaline-2,3-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=O)C(=O)N2
• Uses: 6-Chloroquinoxaline-2,3-diol can be used as glycine receptor antagonists to use as analgesics, anticonvulsants, neuroprotectants, and sedative-?hypnotics.

Technology Process of 6-Chloroquinoxaline-2,3-diol

There total 20 articles about 6-Chloroquinoxaline-2,3-diol 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: 98.0%

4-Chloro-1,2-phenylenediamine (95-83-0) + oxalic acid diethyl ester (95-92-1) → 6-chloroquinoxaline-2,3(1H,4H)-dione (6639-79-8)

Guidance literature:

for 16h; Heating;

DOI:10.1021/jm00170a031

Reference yield: 96.0%

oxalic acid (144-62-7,97993-78-7) + 4-Chloro-1,2-phenylenediamine (95-83-0) → 2,3-dihydroxy-6-chloroquinoxaline (6639-79-8)

Guidance literature:

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

4-Chloro-1,2-phenylenediamine; at 100 ℃; for 2h;

DOI:10.1080/00304948.2021.2010467

Reference yield: 95.0%

oxalic acid (144-62-7,97993-78-7) + 4-Chloro-1,2-phenylenediamine (95-83-0) → 6-chloroquinoxaline-2,3(1H,4H)-dione (6639-79-8)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 0.333333h;

DOI:10.1002/hlca.19940770610

upstream raw materials:

6-chloroquinoxaline

4-Chloro-1,2-phenylenediamine

oxalic acid diethyl ester

6-chloroquinoxaline 1,4-dioxide

Downstream raw materials:

2,3,6-trichloro-quinoxaline

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

2,6-Dichloro-3-phenylsulfanyl-quinoxaline

7-Chloro-2-phenyl-4a,5,10,11-tetraaza-benzo[b]fluorene

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