4,6-Dihydroxyquinoline

Base Information

• Chemical Name: 4,6-Dihydroxyquinoline
• CAS No.: 3517-61-1
• Molecular Formula: C₉H₇NO₂
• Molecular Weight: 161.16
• Hs Code.: 2933499090
• UNII: 6ZF8DP2DQZ
• DSSTox Substance ID: DTXSID20331520
• Nikkaji Number: J2.366.464J
• Wikidata: Q27103902
• Metabolomics Workbench ID: 38457
• Mol file: 3517-61-1.mol

Synonyms:4,6-Dihydroxyquinoline;3517-61-1;Quinoline-4,6-diol;4,6-Quinolinediol;6-hydroxy-1H-quinolin-4-one;6ZF8DP2DQZ;C05639;SCHEMBL1332713;6-Oxidanyl-1H-quinolin-4-one;SCHEMBL14242737;CHEBI:28799;DTXSID20331520;MFCD09261119;AKOS006330120;AC-9587;SB67465;BS-16649;CS-0155720;FT-0716473;D82261;Q27103902

Chemical Property of 4,6-Dihydroxyquinoline

Chemical Property:

• Vapor Pressure: 9.85E-06mmHg at 25°C
• Refractive Index: 1.639
• Boiling Point: 361.6 °C at 760 mmHg
• PKA: 4.48±0.40(Predicted)
• Flash Point: 172.5 °C
• PSA: 53.35000
• Density: 1.337 g/cm³
• LogP: 1.64600
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

quinoline-4,6-diol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)C(=O)C=CN2

Technology Process of 4,6-Dihydroxyquinoline

There total 8 articles about 4,6-Dihydroxyquinoline 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: 57.0%

5-[(4-Hydroxy-phenylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione (90367-97-8) → 4,6-dihydroxyquinoline (3517-61-1)

Guidance literature:

In gas; at 600 ℃; for 3h; under 0.0001 Torr;

DOI:10.1021/jo00189a025

Reference yield:

ethyl 4-hydroxy-6-methoxy-2-quinolinecarboxylate (66003-25-6) → 4,6-dihydroxyquinoline (3517-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HI

With hydrogen iodide;

DOI:10.1021/ja01652a099

Reference yield:

4-chloro-6-methoxyquinoline (4295-04-9) → 4,6-dihydroxyquinoline (3517-61-1)

Guidance literature:

With sodium methylate; at 140 ℃; und Behandeln des oeligen 4,6-Dimethoxy-chinolins mit konz.Salzsaeure im Rohr bei 190grad;

upstream raw materials:

4-chloro-6-methoxyquinoline

6-Hydroxykynurenic acid

5-[(4-Hydroxy-phenylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione

4-amino-phenol