6-Chloro-7-hydroxy-5,8-isoquinolinedione

Base Information

• Chemical Name: 6-Chloro-7-hydroxy-5,8-isoquinolinedione
• CAS No.: 102072-79-7
• Molecular Formula: C₉H₄ClNO₃
• Molecular Weight: 209.589
• DSSTox Substance ID: DTXSID30907073
• Wikidata: Q82875960
• Mol file: 102072-79-7.mol

Synonyms:6-Chloro-7-hydroxy-5,8-isoquinolinedione;102072-79-7;6-chloro-5-hydroxyisoquinoline-7,8-dione;5,8-Isoquinolinedione, 6-chloro-7-hydroxy-;DTXSID30907073;6-Chloro-5-hydroxy-7,8-isoquinolinedione

Chemical Property of 6-Chloro-7-hydroxy-5,8-isoquinolinedione

Chemical Property:

• Vapor Pressure: 1.27E-06mmHg at 25°C
• Boiling Point: 385.2°C at 760 mmHg
• Flash Point: 186.7°C
• Density: 1.66g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 208.9879707
• Heavy Atom Count: 14
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=C1C(=C(C(=O)C2=O)Cl)O

Technology Process of 6-Chloro-7-hydroxy-5,8-isoquinolinedione

There total 2 articles about 6-Chloro-7-hydroxy-5,8-isoquinolinedione 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: 87.0%

DA 295 (84289-03-2) → 6-chloro-7-hydroxy-5,8-isoquinolinedione (102072-79-7)

Guidance literature:

With sodium hydroxide; for 0.5h; Ambient temperature;

DOI:10.1021/jm00158a002

Reference yield:

5-hydroxyisoquinoline (2439-04-5) → 6-chloro-7-hydroxy-5,8-isoquinolinedione (102072-79-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 11 percent / concd HCl, concd HNO₃ / 80 - 90 °C

2: 87 percent / 0.2 N NaOH / 0.5 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; nitric acid;

DOI:10.1021/jm00158a002

upstream raw materials:

DA 295

5-hydroxyisoquinoline