9-Bromopyrido[1,2-b]isoquinolin-5-ium bromide

Base Information

• Chemical Name: 9-Bromopyrido[1,2-b]isoquinolin-5-ium bromide
• CAS No.: 1695-38-1
• Molecular Formula: Br*C₁₃H₉BrN
• Molecular Weight: 339.029
• NSC Number: 77819
• DSSTox Substance ID: DTXSID10458896

Synonyms:1695-38-1;SCHEMBL8887660;DTXSID10458896;NSC77819;NSC-77819;9-Bromopyrido[1,2-b]isoquinolin-5-ium bromide

Chemical Property of 9-Bromopyrido[1,2-b]isoquinolin-5-ium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 338.90813
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=[N+]2C=C3C=CC(=CC3=CC2=C1)Br.[Br-]

Technology Process of 9-Bromopyrido[1,2-b]isoquinolin-5-ium bromide

There total 4 articles about 9-Bromopyrido[1,2-b]isoquinolin-5-ium 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:

1-(p-bromobenzyl)-2-(1,3-dioxolan-2-yl)-pyridinium bromide (1586-16-9) → 9-bromobenzoquinolizinium bromide (1695-38-1)

Guidance literature:

With hydrogen bromide;

Reference yield:

pyridine-2-carbaldehyde (1121-60-4) → 9-bromobenzoquinolizinium bromide (1695-38-1)

Guidance literature:

Multi-step reaction with 3 steps

1: p-toluenesulfonic acid monohydrate / ethylene glycol; toluene

2: sulfolane; ethyl acetate

3: hydrogen bromide

With p-toluenesulfonic acid monohydrate; hydrogen bromide; In sulfolane; ethylene glycol; ethyl acetate; toluene;

Reference yield:

2-(1,3-dioxolan-2-yl)pyridine (5693-54-9) → 9-bromobenzoquinolizinium bromide (1695-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfolane; ethyl acetate

2: hydrogen bromide

With hydrogen bromide; In sulfolane; ethyl acetate;

upstream raw materials:

1-(p-bromobenzyl)-2-(1,3-dioxolan-2-yl)-pyridinium bromide

pyridine-2-carbaldehyde

2-(1,3-dioxolan-2-yl)pyridine

Downstream raw materials:

9-phenylbenzo[b]quinolizinium tetrafluoroborate

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