5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one

Base Information

• Chemical Name: 5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one
• CAS No.: 56469-02-4
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• Hs Code.: 2933990090
• European Community (EC) Number: 847-797-9
• DSSTox Substance ID: DTXSID20530894
• Nikkaji Number: J413.024C
• Wikidata: Q72483728

Synonyms:3,4-dihydro-5-hydroxy-1(2H)-isoquinolinone;5OH-DIQ

Chemical Property of 5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.604
• Boiling Point: 473.848 °C at 760 mmHg
• PKA: 9.23±0.20(Predicted)
• Flash Point: 240.375 °C
• PSA: 49.33000
• Density: 1.282 g/cm³
• LogP: 1.00690
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)C2=C1C(=CC=C2)O
• Uses: 5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one is a useful research chemical.

Technology Process of 5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one

There total 4 articles about 5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one 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: 85.0%

1,5-dihydroxy-1(2H)-isoquinoline (5154-02-9) → 3,4-dihydro-5-hydroxy-1(2H)-isoquinolinone (56469-02-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; at 50 ℃;

DOI:10.1002/jhet.5570380424

Reference yield: 15.8%

4-hydroxy-2,3-dihydroindan-1-one (40731-98-4) → 3,4-dihydro-5-hydroxy-1(2H)-isoquinolinone (56469-02-4)

Guidance literature:

With sodium azide; trichloroacetic acid; at 70 ℃; for 18h;

DOI:10.1002/1099-1344(200009)43:10<983::AID-JLCR383>3.0.CO;2-C

Reference yield:

1,5-dihydroxy-1(2H)-isoquinoline (5154-02-9) → 3,4-dihydro-5-hydroxy-1(2H)-isoquinolinone (56469-02-4) + isoquinoline-1-oxide (762236-09-9)

Guidance literature:

With hydrogen; palladium-carbon; In ethanol; acetonitrile;

upstream raw materials:

4-hydroxy-2,3-dihydroindan-1-one

1,5-dihydroxy-1(2H)-isoquinoline

isoquinoline-1,5-diol

Downstream raw materials:

3,4-dihydro-5-methoxy-1(2H)-isoquinolinone

3,4-dihydro-5-(3-chloropropoxy)-1(2H)-isoquinolinone

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