dibenzyl (2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphite

Base Information

• Chemical Name: dibenzyl (2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphite
• CAS No.: 1433859-79-0
• Molecular Formula: C₄₂H₄₀FN₆O₆P
• Molecular Weight: 774.788
• Mol file: 1433859-79-0.mol

Synonyms:dibenzyl (2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphite

Chemical Property of dibenzyl (2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphite

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of dibenzyl (2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphite

There total 21 articles about dibenzyl (2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphite 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:

6-tert-butyl-8-fluoro-2-[3-(hydroxymethyl)-4-[1-methyl-5-[(5-methylisoxazol-3-yl)amino]-6-oxo-3-pyridyl]-2-pyridyl]phthalazin-1-one (1433847-15-4) + Dibenzyl N,N-diisopropylphosphoramidite (108549-23-1) → dibenzyl (2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphite (1433859-79-0)

Guidance literature:

With 1H-tetrazole; In acetonitrile; at 20 ℃; for 1h;

Reference yield:

p-tert-butyl benzoyl chloride (1710-98-1) → dibenzyl (2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphite (1433859-79-0)

Guidance literature:

Multi-step reaction with 11 steps

1.1: dichloromethane / 0 - 20 °C

2.1: thionyl chloride / 1 h / Reflux

3.1: n-butyllithium / tetrahydrofuran; hexane / 4 h / -78 - -20 °C / Inert atmosphere

3.2: 2.25 h / -78 - 20 °C

4.1: pyridinium p-toluenesulfonate / toluene / Reflux

5.1: n-butyllithium / tetrahydrofuran; hexane / 3 h / -78 - -17 °C / Inert atmosphere

5.2: 1.5 h / -78 - 20 °C

6.1: sulfuric acid / methanol; water / Reflux

7.1: hydrazine hydrate / acetic acid / 1.5 h / 50 °C / Inert atmosphere

8.1: potassium acetate; 4,7-dimethoxy-1,10-phenanthroline; copper(l) iodide / 1,4-dioxane / 10 h / 90 °C / Inert atmosphere

9.1: caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine / water; 1,4-dioxane / 3 h / Inert atmosphere; Reflux

10.1: methanol; sodium tetrahydroborate / 6 h / 20 °C

11.1: 1H-tetrazole / acetonitrile / 1 h / 20 °C

With 1H-tetrazole; methanol; sodium tetrahydroborate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; copper(l) iodide; n-butyllithium; thionyl chloride; 4,7-dimethoxy-1,10-phenanthroline; sulfuric acid; potassium acetate; pyridinium p-toluenesulfonate; caesium carbonate; hydrazine hydrate; tricyclohexylphosphine; In tetrahydrofuran; 1,4-dioxane; methanol; hexane; dichloromethane; water; acetic acid; toluene; acetonitrile;

Reference yield:

4-(1,1-dimethylethyl)benzoic acid (98-73-7) → dibenzyl (2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphite (1433859-79-0)

Guidance literature:

Multi-step reaction with 12 steps

1.1: thionyl chloride / 3 h / Reflux

2.1: dichloromethane / 0 - 20 °C

3.1: thionyl chloride / 1 h / Reflux

4.1: n-butyllithium / tetrahydrofuran; hexane / 4 h / -78 - -20 °C / Inert atmosphere

4.2: 2.25 h / -78 - 20 °C

5.1: pyridinium p-toluenesulfonate / toluene / Reflux

6.1: n-butyllithium / tetrahydrofuran; hexane / 3 h / -78 - -17 °C / Inert atmosphere

6.2: 1.5 h / -78 - 20 °C

7.1: sulfuric acid / methanol; water / Reflux

8.1: hydrazine hydrate / acetic acid / 1.5 h / 50 °C / Inert atmosphere

9.1: potassium acetate; 4,7-dimethoxy-1,10-phenanthroline; copper(l) iodide / 1,4-dioxane / 10 h / 90 °C / Inert atmosphere

10.1: caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine / water; 1,4-dioxane / 3 h / Inert atmosphere; Reflux

11.1: methanol; sodium tetrahydroborate / 6 h / 20 °C

12.1: 1H-tetrazole / acetonitrile / 1 h / 20 °C

With 1H-tetrazole; methanol; sodium tetrahydroborate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; copper(l) iodide; n-butyllithium; thionyl chloride; 4,7-dimethoxy-1,10-phenanthroline; sulfuric acid; potassium acetate; pyridinium p-toluenesulfonate; caesium carbonate; hydrazine hydrate; tricyclohexylphosphine; In tetrahydrofuran; 1,4-dioxane; methanol; hexane; dichloromethane; water; acetic acid; toluene; acetonitrile;

upstream raw materials:

3,5-dibromo-1-methyl-1H-pyridin-2-one

p-tert-butyl benzoyl chloride

4-(1,1-dimethylethyl)benzoic acid

6-(tert-butyl)-2-(4-chloro-3-(hydroxymethyl)pyridin-2-yl)-8-fluorophthalazin-1(2H)-one

Downstream raw materials:

dibenzyl (2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(1-methyl-5-(5-methylisoxazol-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)pyridin-3-yl)methyl phosphate

Refernces