5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one

Base Information

• Chemical Name: 5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one
• CAS No.: 1361941-30-1
• Molecular Formula: C₃₄H₃₉N₇O₃
• Molecular Weight: 593.729
• Mol file: 1361941-30-1.mol

Synonyms:5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one

Chemical Property of 5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one

There total 12 articles about 5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one 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: 23.0%

2-(5-amino-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(5-tert-butyl-1-oxoisoindolin-2-yl)benzyl acetate (1361941-29-8) + 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine (27464-17-1) → 5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one (1361941-30-1)

Guidance literature:

2-(5-amino-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(5-tert-butyl-1-oxoisoindolin-2-yl)benzyl acetate; 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine; With caesium carbonate; In 1,4-dioxane; for 0.333333h; Reflux; Inert atmosphere;

With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; for 5h; Reflux;

Reference yield:

4-(tert-butyl)-N,N-diethyl-2-formylbenzamide (1361386-52-8) → 5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one (1361941-30-1)

Guidance literature:

Multi-step reaction with 7 steps

1.1: trifluoroacetic acid; triethylsilane / acetonitrile / 1.5 h / 130 °C / Microwave irraradiation

2.1: lithium hydroxide / tetrahydrofuran; methanol / 2.5 h / 110 °C / Microwave irradiation

2.2: pH 7

3.1: caesium carbonate; N,N-dimethylethylenediamine / 1,4-dioxane / 0.5 h / Inert atmosphere; Reflux

3.2: 14 h / 105 °C

4.1: potassium acetate / 1,4-dioxane / 0.5 h / Reflux; Inert atmosphere

4.2: 14 h / 105 °C

5.1: sodium carbonate / 1,4-dioxane; water / 0.25 h / Inert atmosphere

5.2: 5 h / 100 °C

6.1: tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

7.1: caesium carbonate / 1,4-dioxane / 0.33 h / Reflux; Inert atmosphere

7.2: 5 h / Reflux

With triethylsilane; potassium acetate; sodium carbonate; caesium carbonate; N,N-dimethylethylenediamine; trifluoroacetic acid; lithium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; water; acetonitrile;

Reference yield:

2,6-dibromotoluene (69321-60-4) → 5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one (1361941-30-1)

Guidance literature:

Multi-step reaction with 7 steps

1.1: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / tetrachloromethane / 14 h / 80 °C / Inert atmosphere

2.1: N,N-dimethyl-formamide / 14 h / 20 °C / Inert atmosphere

3.1: caesium carbonate; N,N-dimethylethylenediamine / 1,4-dioxane / 0.5 h / Inert atmosphere; Reflux

3.2: 14 h / 105 °C

4.1: potassium acetate / 1,4-dioxane / 0.5 h / Reflux; Inert atmosphere

4.2: 14 h / 105 °C

5.1: sodium carbonate / 1,4-dioxane; water / 0.25 h / Inert atmosphere

5.2: 5 h / 100 °C

6.1: tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

7.1: caesium carbonate / 1,4-dioxane / 0.33 h / Reflux; Inert atmosphere

7.2: 5 h / Reflux

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); potassium acetate; sodium carbonate; caesium carbonate; N,N-dimethylethylenediamine; In tetrahydrofuran; 1,4-dioxane; tetrachloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

2,6-dibromotoluene

5-bromo-3-nitro-1H-pyridin-2-one

5-bromo-1-methyl-3-nitropyridine-2(1H)-one

2,6-dibromobenzyl bromide