4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide

Base Information

• Chemical Name: 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
• CAS No.: 118112-03-1
• Molecular Formula: C₂₂H₁₈N₄
• Molecular Weight: 338.412
• DSSTox Substance ID: DTXSID50434699
• Nikkaji Number: J1.030.268D
• ChEMBL ID: CHEMBL128152
• Mol file: 118112-03-1.mol

Synonyms:118112-03-1;CHEMBL128152;4-Methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzimidamide;4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide;DTXSID50434699;VUF-8503;BDBM50067092;4-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benzamidine

Chemical Property of 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 338.153146591
• Heavy Atom Count: 26
• Complexity: 483

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide

There total 2 articles about 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide 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:

4-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benzimidoyl chloride → N-[3-(2-pyridyl)isoquinolin-1-yl]-4-methylbenzamidine (118112-03-1)

Guidance literature:

With ammonia; In chloroform; for 1h; Yield given; ice-cooling;

DOI:10.1021/jm00122a033

Reference yield:

VUF 8502 (112575-49-2) → N-[3-(2-pyridyl)isoquinolin-1-yl]-4-methylbenzamidine (118112-03-1)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus pentachloride / CHCl₃ / 0.5 h / Heating

2: ammonia / CHCl₃ / 1 h / ice-cooling

With phosphorus pentachloride; ammonia; In chloroform;

DOI:10.1021/jm00122a033

upstream raw materials:

VUF 8502