8-broMo-3,4-dihydroisoquinolin-1(2H)-one

Base Information

• Chemical Name: 8-broMo-3,4-dihydroisoquinolin-1(2H)-one
• CAS No.: 1159811-99-0
• Molecular Formula: C₉H₈BrNO
• Molecular Weight: 226.073
• Hs Code.: 2933790090
• Mol file: 1159811-99-0.mol

Synonyms:8-broMo-3,4-dihydroisoquinolin-1(2H)-one;8-Bromo-3,4-dihydro-1(2H)-isoquinolinone

Chemical Property of 8-broMo-3,4-dihydroisoquinolin-1(2H)-one

Chemical Property:

• Boiling Point: 456.7±45.0 °C(Predicted)
• PKA: 13.84±0.20(Predicted)
• PSA: 32.59000
• Density: 1.559±0.06 g/cm3(Predicted)
• LogP: 1.74540

Purity/Quality:

99.0% ^*data from raw suppliers

8-Bromo-3,4-dihydroisoquinolin-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 8-broMo-3,4-dihydroisoquinolin-1(2H)-one

There total 3 articles about 8-broMo-3,4-dihydroisoquinolin-1(2H)-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: 73.0%

C17H16BrNO4 → 6-bromo-3,4-dihydroisoquinolin-1(2H)-one (147497-32-3) + 8-bromo-3,4-dihydroisoquinolin-1(2H)-one (1159811-99-0)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.3987/COM-15-S(T)60

Reference yield: 17.0%

methyl 4-(bromophen)ethylcarbamate (305447-65-8) → 6-bromo-3,4-dihydroisoquinolin-1(2H)-one (147497-32-3) + 7-bromo-3,4-dihydroisoquinolin-1(2 H)-one (891782-60-8) + 5-bromo-1,2,3,4-tetrahydroisoquinolin-1-one (1109230-25-2) + 8-bromo-3,4-dihydroisoquinolin-1(2H)-one (1159811-99-0)

Guidance literature:

With trifluorormethanesulfonic acid; at 70 ℃; for 24h; Overall yield = 90 %; Overall yield = 147 mg; Inert atmosphere;

DOI:10.1002/chem.201402447

Reference yield:

2-(3-bromophenyl)ethanamine (58971-11-2) → 6-bromo-3,4-dihydroisoquinolin-1(2H)-one (147497-32-3) + 8-bromo-3,4-dihydroisoquinolin-1(2H)-one (1159811-99-0)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 2 h / 20 °C

2: trifluorormethanesulfonic acid / dichloromethane / 0 - 20 °C / Inert atmosphere

With trifluorormethanesulfonic acid; In tetrahydrofuran; dichloromethane;

DOI:10.3987/COM-15-S(T)60

upstream raw materials:

methyl 4-(bromophen)ethylcarbamate

2-(3-bromophenyl)ethanamine

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