1,2,3,4-Tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid
• CAS No.: 14121-55-2
• Molecular Formula: C9H6 N2 O4
• Molecular Weight: 206.158
• Hs Code.: 2933990090
• European Community (EC) Number: 237-975-9
• NSC Number: 211121
• UNII: 9UAG2SL9CT
• DSSTox Substance ID: DTXSID80161603
• Nikkaji Number: J29.042D
• Wikidata: Q83030031
• ChEMBL ID: CHEMBL119727
• Mol file: 14121-55-2.mol

Synonyms:14121-55-2;2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid;1,2,3,4-Tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid;2,3-dioxo-1,4-dihydroquinoxaline-6-carboxylic acid;2,3-dihydroxyquinoxaline-6-carboxylic acid;9UAG2SL9CT;EINECS 237-975-9;NSC-211121;1,2,3,4-tetrahydro-2,3-dioxoquinoxaline-6-carboxylicacid;2,3-Dioxo-1,2,3,4-tetrahydro-quinoxaline-6-carboxylic acid;MFCD00128584;NSC211121;UNII-9UAG2SL9CT;Cambridge id 6121956;TimTec1_003880;TimTec1_006921;Oprea1_006451;Oprea1_330490;SCHEMBL939954;CHEMBL119727;DTXSID80161603;6-Quinoxalinecarboxylic acid, 1,2,3,4-tetrahydro-2,3-dioxo-;HMS1545A08;HMS1553K13;BBL028241;BBL036420;MFCD00907425;STK069360;STL490544;AKOS000112723;AKOS000117140;NSC 211121;VS-13477;2,3-dihydroxy-6-quinoxalinecarboxylic acid;CS-0169417;EN300-07268;AB00980292-01;A885692;W-110367;6-QUINOXALINECARBOXYLIC ACID, 2,3-DIHYDROXY-;BRD-K41613021-001-03-5;Z56968762;2,3-dihydroxyquinoxaline-6-carboxylic acid, AldrichCPR;F0919-3863;1,2,3,4-TETRAHYDRO-2,3-DIOXO-6-QUINOXALINECARBOXYLIC ACID;2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid, AldrichCPR

Chemical Property of 1,2,3,4-Tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.59E-15mmHg at 25°C
• Boiling Point: 593°Cat760mmHg
• Flash Point: 312.4°C
• PSA: 103.02000
• Density: 1.54g/cm³
• LogP: -0.08540
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.03275668
• Heavy Atom Count: 15
• Complexity: 328

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)NC(=O)C(=O)N2

Technology Process of 1,2,3,4-Tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid

There total 3 articles about 1,2,3,4-Tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid 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: 88.0%

oxalic acid (144-62-7,97993-78-7) + 3,4-diaminobenzoic acid (619-05-6) → 2,3-dihydroxy-6-quinoxalinecarboxylic acid (14121-55-2)

Guidance literature:

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

3,4-diaminobenzoic acid; at 100 ℃; for 2h;

DOI:10.1080/00304948.2021.2010467

Reference yield:

oxalic acid diethyl ester (95-92-1) + 3,4-diaminobenzoic acid (619-05-6) → 2,3-dihydroxy-6-quinoxalinecarboxylic acid (14121-55-2)

Guidance literature:

at 160 ℃; for 12h;

DOI:10.1002/anie.201913620

Reference yield:

→ 2,3-dihydroxy-6-quinoxalinecarboxylic acid (14121-55-2)

Guidance literature:

2,3-Dihydroxy-6-<α-hydroxy-β,β,β,β',β',β'-hexafluor-isopropyl>-chinoxalin, KOH/Diethylenglykol;

upstream raw materials:

oxalic acid diethyl ester

3,4-diaminobenzoic acid

oxalic acid

Downstream raw materials:

2,3-dichloroquinoxaline-6-carboxylic acid

2,3-dichloro-quinoxaline-6-carboxylic acid benzyl ester

2,3-dichloro-quinoxaline-6-carboxylic acid chloride