Quinolinium, 1-(2-oxo-2-phenylethyl)-, bromide

Base Information

• Chemical Name: Quinolinium, 1-(2-oxo-2-phenylethyl)-, bromide
• CAS No.: 33014-32-3
• Molecular Formula: C17H14NO.Br
• Molecular Weight: 328.208
• DSSTox Substance ID: DTXSID90449000
• ChEMBL ID: CHEMBL1457310
• Mol file: 33014-32-3.mol

Synonyms:Quinolinium, 1-(2-oxo-2-phenylethyl)-, bromide;33014-32-3;1-phenyl-2-quinolin-1-ium-1-ylethanone;bromide;MLS000589559;HMS2552D07;N-phenacylquinolinium bromide;SCHEMBL6228650;CHEMBL1457310;DTXSID90449000;AKOS016032397;1-(2-Oxo-2-phenyl-ethyl)-quinolinium;SMR000213009;SR-01000389060;SR-01000389060-1

Chemical Property of Quinolinium, 1-(2-oxo-2-phenylethyl)-, bromide

Chemical Property:

• PSA: 20.95000
• LogP: 0.01420
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 327.02588
• Heavy Atom Count: 20
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32.[Br-]

Technology Process of Quinolinium, 1-(2-oxo-2-phenylethyl)-, bromide

There total 2 articles about Quinolinium, 1-(2-oxo-2-phenylethyl)-, 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: 90.0%

quinoline (91-22-5) + α-bromoacetophenone (70-11-1) → 1-phenacylquinolinium bromide (33014-32-3)

Guidance literature:

In acetone; for 1.5h; Heating;

DOI:10.1016/S0040-4020(01)87473-1

Reference yield:

→ 1-phenacylquinolinium bromide (33014-32-3)

Guidance literature:

Phenacylbromid, Chinolin;

Reference yield: 92.0%

(E)-5-methyl-3-(2-oxo-2-(thiophen-2-yl)ethylidene)indolin-2-one + 1-phenacylquinolinium bromide (33014-32-3) → 1'-benzoyl-5-methyl-2'-(2-thienoyl)-2',3'a-dihydro-1'H-spiro[indoline-3,3'-pyrrolo[1,2-a]quinolin]-2-one

Guidance literature:

With triethylamine; In ethanol; at 80 ℃; for 0.166667h; regiospecific reaction; Microwave irradiation;

DOI:10.2174/1570178611666141016215558

upstream raw materials:

quinoline

α-bromoacetophenone

Downstream raw materials:

2-phenylimidazo[1,2-a]quinoline

2-[((1S,2R,3R,3aR)-1-Benzoyl-2-phenyl-1,2,3,3a-tetrahydro-pyrrolo[1,2-a]quinolin-3-yl)-phenyl-methylene]-malononitrile

1-benzoylpyrrolo<1,2-a>quinoline-3-carbonitrile

dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate