1-oxo-1,8a-dihydroisoquinoline-6-carboxylic acid

Base Information

• Chemical Name: 1-oxo-1,8a-dihydroisoquinoline-6-carboxylic acid
• CAS No.: 1301214-60-7
• Molecular Formula: C₁₀H₇NO₃
• Molecular Weight: 189.17
• Hs Code.: 2933499090
• Mol file: 1301214-60-7.mol

Synonyms:1-oxo-1,8a-dihydroisoquinoline-6-carboxylic acid;1 - Hydroxyisoquinoline - 6 - carboxylic acid;1-Hydroxy-2-azanaphthalene-6-carboxylic acid, 6-Carboxy-1-hydroxyisoquinoline;1-Oxo-1,2-dihydroisoquinoline-6-carboxylic acid;1-oxoisoquinoline-2(1H)-carboxylic acid

Chemical Property of 1-oxo-1,8a-dihydroisoquinoline-6-carboxylic acid

Chemical Property:

• PSA: 70.16000
• LogP: 1.22630
• Storage Temp.: 2-8°C

Purity/Quality:

98.5% ^*data from raw suppliers

1-hydroxyisoquinoline-6-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-oxo-1,8a-dihydroisoquinoline-6-carboxylic acid

There total 10 articles about 1-oxo-1,8a-dihydroisoquinoline-6-carboxylic 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: 48.0%

methyl 1-oxo-1,2-dihydroisoquinoline-6-carboxylate (1184920-35-1) → 1,2-dihydro-1-oxoisoquinoline-6-carboxylic acid (1301214-60-7)

Guidance literature:

1-oxo-1,2-dihydro-isoquinoline-6-carboxylic acid methyl ester; With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 4h;

With hydrogenchloride; In water; pH=5;

Reference yield:

1-chloroisoquinoline-6-carboxylic acid → 1,2-dihydro-1-oxoisoquinoline-6-carboxylic acid (1301214-60-7)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 2h; Time;

Reference yield:

6-bromo-2H-isoquinoline-1-one (82827-09-6) → 1,2-dihydro-1-oxoisoquinoline-6-carboxylic acid (1301214-60-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); palladium dichloride / 12 h / 100 °C / 15001.5 Torr

2.1: water; lithium hydroxide / tetrahydrofuran / 4 h / 20 °C

2.2: pH 5

With water; triethylamine; lithium hydroxide; (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); palladium dichloride; In tetrahydrofuran;

upstream raw materials:

6-bromo-2H-isoquinoline-1-one

3-Bromocinnamic acid

(E)-1-bromo-3-(2-isocyanatovinyl)benzene

methyl 1-oxo-1,2-dihydroisoquinoline-6-carboxylate

Refernces

• 1、 -. "Method for preparing 2-methyl-1-oxo-1, 2-dihydroisoquinolines-6-formic acid". . . Retrieved 2017/08/29.
• 2、 -. "N1/N2-Lactam Acetyl-CoA carboxylase inhibitors". . . Retrieved 2012/05/07.