7-Carboxy-1-hydroxyisoquinoline, 7-Carboxy-1-hydroxy-2-azanaphthalene

Base Information

• Chemical Name: 7-Carboxy-1-hydroxyisoquinoline, 7-Carboxy-1-hydroxy-2-azanaphthalene
• CAS No.: 1301214-62-9
• Molecular Formula: C₁₀H₇NO₃
• Molecular Weight: 189.17
• Hs Code.: 2933499090
• Mol file: 1301214-62-9.mol

Synonyms:1-Hydroxyisoquinoline-7-carboxylic acid;7-Carboxy-1-hydroxyisoquinoline, 7-Carboxy-1-hydroxy-2-azanaphthalene;1-oxo-1,2-dihydroisoquinoline-7-carboxylic acid

Chemical Property of 7-Carboxy-1-hydroxyisoquinoline, 7-Carboxy-1-hydroxy-2-azanaphthalene

Chemical Property:

• Boiling Point: 526.1±50.0 °C(Predicted)
• PKA: 4.02±0.20(Predicted)
• PSA: 70.42000
• Density: 1.405±0.06 g/cm3(Predicted)
• LogP: 1.63860

Purity/Quality:

98.5% ^*data from raw suppliers

1-Hydroxyisoquinoline-7-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 7-Carboxy-1-hydroxyisoquinoline, 7-Carboxy-1-hydroxy-2-azanaphthalene

There total 4 articles about 7-Carboxy-1-hydroxyisoquinoline, 7-Carboxy-1-hydroxy-2-azanaphthalene 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: 72.0%

methyl 1-oxo-2H-isoquinoline-7-carboxylate (658082-39-4) → 1-oxo-2H-isoquinoline-7-carboxylic acid (1301214-62-9)

Guidance literature:

With methanol; water; sodium hydroxide; at 20 ℃; for 12h; Inert atmosphere;

Reference yield:

1-oxo-1,2-dihydroisoquinoline-7-carbonitrile (1184913-64-1) → 1-oxo-2H-isoquinoline-7-carboxylic acid (1301214-62-9)

Guidance literature:

1-oxo-1,2-dihydroisoquinoline-7-carbonitrile; With water; sodium hydroxide; In ethanol; for 2h; Reflux;

With hydrogenchloride; In water; pH=~ 2;

Reference yield:

7-bromo-1(2H)-isoquinolone (223671-15-6) → 1-oxo-2H-isoquinoline-7-carboxylic acid (1301214-62-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N,N-dimethyl-formamide / 2 h / 180 °C

2.1: water; sodium hydroxide / ethanol / 2 h / Reflux

2.2: pH ~ 2

With water; sodium hydroxide; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

7-bromo-1(2H)-isoquinolone

1-oxo-1,2-dihydroisoquinoline-7-carbonitrile

methyl 1-oxo-2H-isoquinoline-7-carboxylate

Downstream raw materials:

ethyl 1-(4-methoxybenzylamino)isoquinoline-7-carboxylate

1-(4-methoxybenzylamino)isoquinoline-7-carboxylic acid

Refernces

• 1、 -. "N1/N2-Lactam Acetyl-CoA carboxylase inhibitors". . . Retrieved 2012/05/07.