Pyridazino(4,3-c)isoquinolin-6-amine, N,N-dimethyl-3-(4-methoxyphenyl)-

Base Information

• Chemical Name: Pyridazino(4,3-c)isoquinolin-6-amine, N,N-dimethyl-3-(4-methoxyphenyl)-
• CAS No.: 96825-86-4
• Molecular Formula: C20H18 N4 O
• Molecular Weight: 330.389
• ChEMBL ID: CHEMBL278089
• DSSTox Substance ID: DTXSID30242572
• Wikidata: Q83126352
• Mol file: 96825-86-4.mol

Synonyms:BRN 5603523;Pyridazino(4,3-c)isoquinolin-6-amine, N,N-dimethyl-3-(4-methoxyphenyl)-;96825-86-4;N,N-Dimethyl-3-(4-methoxyphenyl)pyridazino(4,3-c)isoquinolin-6-amine;CHEMBL278089;SCHEMBL10735903;DTXSID30242572

Chemical Property of Pyridazino(4,3-c)isoquinolin-6-amine, N,N-dimethyl-3-(4-methoxyphenyl)-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 330.14806121
• Heavy Atom Count: 25
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC2=CC(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC

Technology Process of Pyridazino(4,3-c)isoquinolin-6-amine, N,N-dimethyl-3-(4-methoxyphenyl)-

There total 5 articles about Pyridazino(4,3-c)isoquinolin-6-amine, N,N-dimethyl-3-(4-methoxyphenyl)- 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: 45.0%

6-Chloro-3-(4-methoxy-phenyl)-pyridazino[4,3-c]isoquinoline (96825-79-5) + dimethyl amine (124-40-3) → N,N-dimethyl-3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-amine (96825-86-4)

Guidance literature:

In diethylene glycol dimethyl ether; at 120 - 140 ℃; for 8h;

DOI:10.1021/jm00147a034

Reference yield:

3-(4-Methoxy-phenyl)-5H-pyridazino[4,3-c]isoquinolin-6-one (96825-75-1) → N,N-dimethyl-3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-amine (96825-86-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / phosphorus pentachloride, phosphorus oxychloride, pyridine / 4.5 h / Heating

2: 45 percent / bis-(2-methoxy-ethyl) ether / 8 h / 120 - 140 °C

With pyridine; phosphorus pentachloride; trichlorophosphate; In diethylene glycol dimethyl ether;

DOI:10.1021/jm00147a034

Reference yield:

2-(4-Methoxy-phenyl)-10-oxa-3,4-diaza-phenanthren-9-one (96825-72-8) → N,N-dimethyl-3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-amine (96825-86-4)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium acetate / 9 h / 190 - 200 °C

2: 98 percent / phosphorus pentachloride, phosphorus oxychloride, pyridine / 4.5 h / Heating

3: 45 percent / bis-(2-methoxy-ethyl) ether / 8 h / 120 - 140 °C

With pyridine; ammonium acetate; phosphorus pentachloride; trichlorophosphate; In diethylene glycol dimethyl ether;

DOI:10.1021/jm00147a034

upstream raw materials:

6-Chloro-3-(4-methoxy-phenyl)-pyridazino[4,3-c]isoquinoline

dimethyl amine

3-(4-Methoxy-phenyl)-5H-pyridazino[4,3-c]isoquinolin-6-one

2-(4-Methoxy-phenyl)-10-oxa-3,4-diaza-phenanthren-9-one