1-(2-methoxy-2-oxoethyl)isoquinolinium bromide

Base Information

• Chemical Name: 1-(2-methoxy-2-oxoethyl)isoquinolinium bromide
• CAS No.: 55841-58-2
• Molecular Formula: C12H12BrNO2
• Molecular Weight: 282.137
• Mol file: 55841-58-2.mol

Synonyms:ISOQUINOLINIUM, CARBOXYMETHYL-, BROMIDE, METHYL ESTER;methyl 2-(2H-isoquinolin-1-yl)acetate bromide;Isoquinolinium, methoxycarbonylmethyl-, bromide;

Chemical Property of 1-(2-methoxy-2-oxoethyl)isoquinolinium bromide

Chemical Property:

• Vapor Pressure: 0.000194mmHg at 25°C
• Boiling Point: 328°Cat760mmHg
• Flash Point: 152.2°C
• Density: g/cm³

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(2-methoxy-2-oxoethyl)isoquinolinium bromide

There total 2 articles about 1-(2-methoxy-2-oxoethyl)isoquinolinium bromide 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: 95.0%

isoquinoline (119-65-3) + bromoacetic acid methyl ester (96-32-2) → 2-(2-methoxy-2-oxoethyl)isoquinolin-2-ium bromide (55841-58-2)

Guidance literature:

In acetone; for 24h; Heating;

DOI:10.1002/ardp.200300808

Reference yield:

(1H-isoquinolin-2-yl)-acetic acid methyl ester (698396-17-7) → 2-(2-methoxy-2-oxoethyl)isoquinolin-2-ium bromide (55841-58-2)

Guidance literature:

With silver nitrate; In methanol; at 20 ℃; for 1h; Kinetics;

DOI:10.1002/ardp.200300808

Reference yield: 93.0%

2-(2-methoxy-2-oxoethyl)isoquinolin-2-ium bromide (55841-58-2) + phenyl isocyanate (103-71-9) → 2-(isoquinolin-2-ium-2-yl)-1-methoxy-1,3-dioxo-3-(phenylamino)propan-2-ide

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 0.25h;

DOI:10.1071/CH15113

upstream raw materials:

isoquinoline

bromoacetic acid methyl ester

(1H-isoquinolin-2-yl)-acetic acid methyl ester

Downstream raw materials:

1-methoxycarbonyl-2-methylthio-1-(1-isoquinolinio)-2-(N-p-toluenesulfonylimino)ethylide

methyl 2-methylthioimidazo<2,1-a>isoquinoline-3-carboxylate

methyl 1-cyano-2-(p-toluenesulfonylamino)pyrrolo<2,1-a>isoquinoline-3-carboxylate

dimethyl 2-(p-toluenesulfonylamino)pyrrolo<2,1-a>isoquinoline-1,3-dicarboxylate

Refernces

• 1、 Wang, Qiang,Yuan, Ting,Liu, Qiang,Xu, Yong,Xie, Guanqun,Lv, Xin,Ding, Shujiang,Wang, Xiaoxia,Li, Chen. "External oxidant-free oxidation/[3+2] cycloaddition/aromatization cascade: Electrochemical synthesis of polycyclic N-heterocycles". supporting information. p. 8398 - 8401. Retrieved 2019/07/22.
• 2、 Mahmoud, Sahar,Aboul-Fadl, Tarek,Sheha, Mahmoud,Farag, Hassan,Mouhamed, Abdel-Maaboud I.. "1,2-Dihydroisoquinoline-N-Acetic Acid Derivatives as New Carriers for Specific Brain Delivery I: Synthesis and Estimation of Oxidation Kinetics Using Multivariate Calibration Method". . p. 573 - 584. Retrieved 2007/10/03.