1,2-Dihydro-1-oxo-5-isoquinolinecarboxylic acid

Base Information

• Chemical Name: 1,2-Dihydro-1-oxo-5-isoquinolinecarboxylic acid
• CAS No.: 212374-18-0
• Molecular Formula: C10H7NO3
• Molecular Weight: 189.16700
• Hs Code.: 2933790090
• Mol file: 212374-18-0.mol

Synonyms:1-oxoisoquinoline-5-carboxylic acid;1,2-Dihydro-1-oxo-5-isoquinolinecarboxylic acid;1-Oxo-1,2-dihydroisoquinoline-5-carboxylic acid;

Chemical Property of 1,2-Dihydro-1-oxo-5-isoquinolinecarboxylic acid

Chemical Property:

• Melting Point: >300 °C
• Boiling Point: 532.6±50.0 °C(Predicted)
• PKA: 3.41±0.20(Predicted)
• PSA: 70.42000
• Density: 1.405
• LogP: 1.63860
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%, ^*data from raw suppliers

1-Hydroxyisoquinoline-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,2-Dihydro-1-oxo-5-isoquinolinecarboxylic acid

There total 4 articles about 1,2-Dihydro-1-oxo-5-isoquinolinecarboxylic acid 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: 83.0%

5-cyanoisoquinolin-1-one (90947-07-2) → 1-oxoisoquinoline-5-carboxylic acid (212374-18-0)

Guidance literature:

With potassium hydroxide; In ethanol; for 72h; Heating;

DOI:10.1016/S0968-0896(98)00029-7

Reference yield:

2,6-dicyanotoluene (2317-22-8) → 1-oxoisoquinoline-5-carboxylic acid (212374-18-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 71 percent / 96 h / Heating

2: 55 percent / HCl / methanol / 72 h / Heating

3: 83 percent / KOH / ethanol / 72 h / Heating

With hydrogenchloride; potassium hydroxide; In methanol; ethanol;

DOI:10.1016/S0968-0896(98)00029-7

Reference yield:

2-((E)-2-Dimethylamino-vinyl)-isophthalonitrile (212374-17-9) → 1-oxoisoquinoline-5-carboxylic acid (212374-18-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / HCl / methanol / 72 h / Heating

2: 83 percent / KOH / ethanol / 72 h / Heating

With hydrogenchloride; potassium hydroxide; In methanol; ethanol;

DOI:10.1016/S0968-0896(98)00029-7

upstream raw materials:

5-cyanoisoquinolin-1-one

2,6-dicyanotoluene

2-((E)-2-Dimethylamino-vinyl)-isophthalonitrile

Refernces

• 1、 Watson, Corrine Y.,Whish, William J. D.,Threadgill, Michael D.. "Synthesis of 3-substituted benzamides and 5-substituted isoquinolin-1(2H)-ones and preliminary evaluation as inhibitors of poly(ADP-ribose)polymerase (PARP)". . p. 721 - 734. Retrieved 2007/10/03.