Benzonitrile, 4-[(2-oxo-1(2H)-quinolinyl)methyl]-

Base Information

Chemical Name:Benzonitrile, 4-[(2-oxo-1(2H)-quinolinyl)methyl]-
CAS No.:62455-78-1
Molecular Formula:C17H12N2O
Molecular Weight:260.295
Hs Code.:
DSSTox Substance ID:DTXSID70487783
Wikidata:Q82330012

Synonyms:Benzonitrile, 4-[(2-oxo-1(2H)-quinolinyl)methyl]-;62455-78-1;SCHEMBL19745603;DTXSID70487783;AKOS013422298

Suppliers and Price of Benzonitrile, 4-[(2-oxo-1(2H)-quinolinyl)methyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzonitrile, 4-[(2-oxo-1(2H)-quinolinyl)methyl]-

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:260.094963011
Heavy Atom Count:20
Complexity:439

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CC(=O)N2CC3=CC=C(C=C3)C#N

Technology Process of Benzonitrile, 4-[(2-oxo-1(2H)-quinolinyl)methyl]-

There total 5 articles about Benzonitrile, 4-[(2-oxo-1(2H)-quinolinyl)methyl]- 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: 70.0%

: 59-31-4,70254-42-1,493-62-9
2-quinolone

: 17201-43-3
4-cyanobenzyl bromide

: 62455-78-1
4-((2-oxoquinolin-1(2H)-yl)methyl)benzonitrile

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1016/j.bioorg.2020.103791

Reference yield:

: 59-31-4
2-hydroxyquinoline

: 17201-43-3
4-cyanobenzyl bromide

: 62455-78-1
4-((2-oxoquinolin-1(2H)-yl)methyl)benzonitrile

Guidance literature:: 2-hydroxyquinoline; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

4-cyanobenzyl bromide; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 3h;

Reference yield:

: 102-92-1,17082-09-6
Cinnamoyl chloride

: 62455-78-1
4-((2-oxoquinolin-1(2H)-yl)methyl)benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine / toluene / 2 h / 20 °C

2: aluminum (III) chloride / chlorobenzene / 4 h / 90 - 110 °C

3: sodium hydride / N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere

With pyridine; aluminum (III) chloride; sodium hydride; In N,N-dimethyl-formamide; chlorobenzene; toluene;
DOI:10.1016/j.bioorg.2020.103791