4-methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide

Base Information

Chemical Name:4-methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide
CAS No.:112575-49-2
Molecular Formula:C22H17N3O
Molecular Weight:339.396
Hs Code.:
DSSTox Substance ID:DTXSID40438727
Nikkaji Number:J575.258B
Wikidata:Q82254545
Pharos Ligand ID:UADBYCPJZR1P
ChEMBL ID:CHEMBL339261

Synonyms:112575-49-2;4-methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide;CHEMBL339261;4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;SCHEMBL936187;DTXSID40438727;VUF-8502;BDBM50067111;4-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benzamide;4-methyl-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide

Suppliers and Price of 4-methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 4-methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:339.137162174
Heavy Atom Count:26
Complexity:474

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4

Technology Process of 4-methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide

There total 3 articles about 4-methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide 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: 46.0%

: 874-60-2
4-methyl-benzoyl chloride

: 37989-04-1
1-amino-3-(2-pyridinyl)isoquinoline

: 112575-49-2
VUF 8502

Guidance literature:: With n-butyllithium; In tetrahydrofuran; hexane; at -10 ℃; for 1h;
DOI:10.1021/jm00399a005

Reference yield:

: 529-19-1
2-Methylbenzonitrile

: 112575-49-2
VUF 8502

Guidance literature:: Multi-step reaction with 2 steps

1: 58 percent / KNH₂, NH₃(liq.), ferric nitrate / tetrahydrofuran / Ambient temperature

2: 1.) n-BuLi / 1.) THF, hexane, -10 deg C, 10 min, 2.) THF, -10 deg C, 1 h

With n-butyllithium; ammonia; potassium amide; ferric nitrate; In tetrahydrofuran;
DOI:10.1021/jm980037i

Reference yield:

: 100-70-9,1232006-36-8
2-Cyanopyridine

: 112575-49-2
VUF 8502

Guidance literature:: Multi-step reaction with 2 steps

1: 58 percent / KNH₂, NH₃(liq.), ferric nitrate / tetrahydrofuran / Ambient temperature

2: 1.) n-BuLi / 1.) THF, hexane, -10 deg C, 10 min, 2.) THF, -10 deg C, 1 h

With n-butyllithium; ammonia; potassium amide; ferric nitrate; In tetrahydrofuran;
DOI:10.1021/jm980037i