1H-Indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)-

Base Information

• Chemical Name: 1H-Indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)-
• CAS No.: 7576-65-0
• Deprecated CAS: 12223-85-7,62395-98-6,113041-80-8,75216-45-4,120920-39-0,113041-80-8,62395-98-6
• Molecular Formula: C18H11NO3
• Molecular Weight: 289.29
• Hs Code.: 3204909000
• European Community (EC) Number: 231-474-9,602-350-5,616-202-2
• NSC Number: 64849
• UNII: U69Y4Q67LZ
• DSSTox Substance ID: DTXSID6044729
• Nikkaji Number: J52.375E
• Wikidata: Q27290745
• Mol file: 7576-65-0.mol

Synonyms:7576-65-0;Disperse Yellow 54;SOLVENT YELLOW 114;1H-Indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)-;12223-85-7;75216-45-4;C.I. DISPERSE YELLOW 54;C.I. Solvent Yellow 114;3'-Hydroxyquinophthalone;Latyl Yellow 3G;3-Hydroxyquinophthalone;2-(3-hydroxyquinolin-2-yl)indene-1,3-dione;3-Hydroxy-2-(1,3-indandione-2-yl)quinoline;YellowG;DisperseYellow54;2-(3-hydroxyquinolin-2-yl)-1H-indene-1,3(2H)-dione;Diaresin Yellow HG;Palanil Yellow 3GE;Solvaperm Yellow 2G;Amacron Yellow L 3G;2-(3-Hydroxy-2-quinolyl)-1,3-indandione;2-(3-Hydroxy-quinolin-2-yl)-indan-1,3-dione;UNII-U69Y4Q67LZ;U69Y4Q67LZ;2-(3-Hydroxy-2-quinolyl)-1,3-indanedione;C.I. 47020;1,3-Indandione, 2-(3-hydroxy-2-quinolyl)-;EINECS 231-474-9;NSC 64849;NSC-64849;2-(3-Hydroxy-2-quinolyl)-1H-indene-1,3(2H)-dione;Disperse Yellow 3GE;Macrolex Yellow G;SolventYellow114;PS Yellow GG;Resiren Yellow TGL;Kayaset Yellow A-G;Resolin Yellow 4GL;Samaron Yellow 3GL;Terasil Yellow 2GW;Teraprint Yellow 2G;Sandoplast Yellow 2G;Sumiplast Yellow HLR;Amarillo disperso 54;3-hidroxiquinophthalone;Plast Yellow 8040;Disperse Yellow E 2G;Disperse Yellow F 3G;solvente amarillo 114;Tersetile Yellow 3GLE;Disperse Yellow E 3GL;Disperse Yellow SE 3GE;C.I.Disperse Yellow 54;NCIOpen2_003082;Dispersol Fast Yellow T 3G;3''''-Hydroxyquinophthalone;SCHEMBL587846;CI DISPERSE YELLOW 54;CI SOLVENT YELLOW 114;Foron Brilliant Yellow E 3GFL;DTXSID6044729;1, 2-(3-hydroxy-2-quinolyl)-;AMY22496;NSC64849;MFCD00266981;AKOS024323439;SB68600;BS-42384;CI 47020;1,3-indandiona, 2-(3-hidroxi-2-quinolil);1H-Indene-1, 2-(3-hydroxy-2-quinolinyl)-;E85667;Disperse Yellow 54 pound>>Solvent Yellow 114;A915237;W-110228;13-Indandione 2-(3-hydroxy-2-quinolyl)-(7CI8CI);2-(3-Hydroxyquinolin-2-yl)-1H-indene-13(2H)-dione;Q27290745;2-(3-hidroxiquinolin-2-il)-1H-indeno-1, 3 (2H)-diona;1h-indeno-1, 3 (2h)-diona, 2-(3-hidroxi-2-quinolinil)-;113041-80-8

Chemical Property of 1H-Indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)-

Chemical Property:

• Appearance/Colour: Orange powder.
• Vapor Pressure: 1.06E-10mmHg at 25°C
• Melting Point: 265 °C
• Refractive Index: 1.736
• Boiling Point: 502 °C at 760 mmHg
• PKA: -2.25±0.20(Predicted)
• Flash Point: 257.4 °C
• PSA: 67.26000
• Density: 1.435 g/cm³
• LogP: 3.10320
• Water Solubility.: 28.93ug/L(25 oC)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 289.07389321
• Heavy Atom Count: 22
• Complexity: 453

Purity/Quality:

99% ^*data from raw suppliers

2-(3-Hydroxyquinolin-2-yl)-1H-indene-1,3(2H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=N2)C3C(=O)C4=CC=CC=C4C3=O)O
• Uses: 2-(3-Hydroxyquinolin-2-yl)-1H-indene-1,3(2H)-dione is used in high-throughput screening approach to anthrax lethal factor inhibition, QSAR approach to treating anthrax. Dyes and metabolites, Environmental Testing Solvent Yellow is a food color that has been banned from use because of its demonstrated carcinogenicity.

Technology Process of 1H-Indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)-

There total 6 articles about 1H-Indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)- 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:

3-hydroxy-quinaldine (613-19-4) + phthalic anhydride (85-44-9) → 2-(3-hydroxy-2-quinolinyl)-1H-indene-1,3(2H)-dione (7576-65-0,113041-80-8,12223-85-7,62395-98-6)

Guidance literature:

at 250 ℃;

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → 2-(3-hydroxy-2-quinolinyl)-1H-indene-1,3(2H)-dione (7576-65-0,113041-80-8,12223-85-7,62395-98-6)

Guidance literature:

Multi-step reaction with 4 steps

1: aqueous KOH

2: 250 °C

3: red phosphorus; water; hydriodic acid / auf Siedetemperatur

4: 200 °C

With phosphorus; potassium hydroxide; water; hydrogen iodide;

DOI:10.1021/ja01265a050

Reference yield:

3-ethoxy-2-methyl-quinoline (57839-52-8) → 2-(3-hydroxy-2-quinolinyl)-1H-indene-1,3(2H)-dione (7576-65-0,113041-80-8,12223-85-7,62395-98-6)

Guidance literature:

Multi-step reaction with 2 steps

1: red phosphorus; water; hydriodic acid / auf Siedetemperatur

2: 200 °C

With phosphorus; water; hydrogen iodide;

DOI:10.1021/ja01265a050

upstream raw materials:

3-hydroxy-quinaldine

phthalic anhydride

3-ethoxy-2-methyl-quinoline-4-carboxylic acid

3-hydroxy-2-methyl-4-quinolinecarboxylic acid

Downstream raw materials:

2-(4-bromo-3-hydroxy-2-quinolinyl)indan-1,3-dione

Refernces