1-Oxo-1H,2H,3H,4H-quinolizinium bromide

Base Information

• Chemical Name: 1-Oxo-1H,2H,3H,4H-quinolizinium bromide
• CAS No.: 5520-39-8
• Molecular Formula: C9H10BrNO
• Molecular Weight: 0
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30506863
• Mol file: 5520-39-8.mol

Synonyms:5520-39-8;1-OXO-1H,2H,3H,4H-QUINOLIZINIUM BROMIDE;3,4-dihydro-2H-quinolizin-5-ium-1-one;bromide;1-Oxo-1,2,3,4-tetrahydroquinolizin-5-ium bromide;DTXSID30506863;CS-0249153;1,2,3,4-Tetrahydro-1-oxoquinolizinium bromide;EN300-4263499;Z1269112409;1-oxo-1,2,3,4-tetrahydro-5lambda5-quinolizin-5-ylium bromide

Chemical Property of 1-Oxo-1H,2H,3H,4H-quinolizinium bromide

Chemical Property:

• PSA: 20.95000
• LogP: -2.04540
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 226.99458
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

1-OXO-1H,2H,3H,4H-QUINOLIZINIUM BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=CC=CC=[N+]2C1.[Br-]

Technology Process of 1-Oxo-1H,2H,3H,4H-quinolizinium bromide

There total 9 articles about 1-Oxo-1H,2H,3H,4H-quinolizinium 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: 51.0%

3,4-dihydro-2-cyano-quinolizinium-1-olate → 1-oxo-1,2,3,4-tetrahydroquinolizinium bromide (5520-39-8)

Guidance literature:

With hydrogen bromide; In water; at 120 ℃; for 21h;

DOI:10.1021/jo060634+

Reference yield:

4-ethoxy-1-pyridin-2-yl-butan-1-one (68498-31-7) → 1-oxo-1,2,3,4-tetrahydroquinolizinium bromide (5520-39-8)

Guidance literature:

With water; hydrogen bromide; Erwaermen des Reaktionsprodukts mit Chloroform;

DOI:10.1039/jr9580001750

Reference yield:

pyridine-2-carbaldehyde (1121-60-4) → 1-oxo-1,2,3,4-tetrahydroquinolizinium bromide (5520-39-8)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether

2: sodium dichromate; sulfuric acid; water

3: water; hydrobromic acid / Erwaermen des Reaktionsprodukts mit Aethanol

With sodium dichromate; diethyl ether; sulfuric acid; water; hydrogen bromide;

DOI:10.1021/jo01097a030

upstream raw materials:

4-ethoxy-1-pyridin-2-yl-butan-1-one

4-ethoxy-1-[2]pyridyl-butan-1-one-imine

α-<(2-pyridinyl)carbonyl>-γ-butyrolactone

pyridine-2-carbaldehyde

Downstream raw materials:

1-phenylhydrazono-1,2,3,4-tetrahydro-quinolizinylium; bromide

quinolizinium bromide

quinolizinylium; picrate

trans-Perhydroquinolizin-1(a)-ol