2,5,8(1H)-Quinolinetrione

Base Information

• Chemical Name: 2,5,8(1H)-Quinolinetrione
• CAS No.: 15450-73-4
• Molecular Formula: C9H5 N O3
• Molecular Weight: 175.144
• Hs Code.: 2933499090
• NSC Number: 107098
• DSSTox Substance ID: DTXSID70296019
• Nikkaji Number: J405.806B
• Wikidata: Q82036316
• Mol file: 15450-73-4.mol

Synonyms:2,5,8(1H)-Quinolinetrione;1H-quinoline-2,5,8-trione;15450-73-4;NSC 107098;Quinoline-2,5,8(1H)-trione;NSC107098;5,8-dioxocarbostyril;2,5,8-quinolinetrione;2,8(1H)-Quinolinetrione;SCHEMBL6407655;JXTKZMFPFKZRHP-UHFFFAOYSA-;DTXSID70296019;NSC-107098

Chemical Property of 2,5,8(1H)-Quinolinetrione

Chemical Property:

• Vapor Pressure: 1.47E-08mmHg at 25°C
• Boiling Point: 457.6°Cat760mmHg
• Flash Point: 224.7°C
• PSA: 67.00000
• Density: 1.47g/cm³
• LogP: 0.31010
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 175.026943022
• Heavy Atom Count: 13
• Complexity: 413

Purity/Quality:

99% ^*data from raw suppliers

2,5,8(1H)-Quinolinetrione 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)NC2=C1C(=O)C=CC2=O

Technology Process of 2,5,8(1H)-Quinolinetrione

There total 4 articles about 2,5,8(1H)-Quinolinetrione 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%

5,8-dimethoxycarbostyril (79784-30-8) → 2,5,8(1H)-quinolinetrione (15450-73-4)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; for 2h; Ambient temperature;

Reference yield: 56.0%

8-Hydroxy-1H-quinolin-2-one (15450-76-7) → 2,5,8(1H)-quinolinetrione (15450-73-4)

Guidance literature:

With potassiuim nitrosodisulfonate; sodium acetate; In chloroform; water; for 2.5h; Ambient temperature;

Reference yield: 51.0%

5-hydroxyquinolin-2(1H)-one (31570-97-5) → 2,5,8(1H)-quinolinetrione (15450-73-4)

Guidance literature:

With potassiuim nitrosodisulfonate; sodium acetate; In chloroform; water; for 1h; Ambient temperature;

upstream raw materials:

5-hydroxyquinolin-2(1H)-one

8-Hydroxy-1H-quinolin-2-one

5,8-dimethoxycarbostyril

Downstream raw materials:

2,2,2-trifluoro-N-[2-(5,8,10-trioxo-1,4,5,8,9,10-hexahydro-pyrido[3,2-g]quinolin-4-yl)-phenyl]-acetamide

8-Hydroxy-4-(2-nitrophenyl)pyrido[3,2-g]quinoline-5,10-dione

8-Hydroxy-4-(2-trifluoroacetamidophenyl)pyrido[3,2-g]-quinoline-5,10-dione

2,5,12-trioxo-5a,6,7,8,9,10,11,11a-octahydro-1H-naphtho<2,3-g>quinoline

Refernces

• 1、 Pettit,Fleming,Paull. "Synthesis of the 6- and 7-hydroxy-5,8-dioxocarbostyrils.". . p. 1089 - 1092. Retrieved 2007/10/08.