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

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 phosphate
• CAS No.: 1433859-86-9
• Molecular Formula: C₄₂H₄₀FN₆O₇P
• Molecular Weight: 790.788
• Mol file: 1433859-86-9.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 phosphate

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 phosphate

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 phosphate

There total 22 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 phosphate 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: 10.0%

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) → 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 (1433859-86-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In acetonitrile; at 20 ℃; for 0.0833333h;

Reference yield:

3,5-dibromo-1-methyl-1H-pyridin-2-one (14529-54-5) → 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 (1433859-86-9)

Guidance literature:

Multi-step reaction with 5 steps

1: caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / 1,4-dioxane / 3 h / 100 °C / Inert atmosphere

2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium acetate; potassium phosphate / water; acetonitrile / 1 h / 100 °C

3: lithium hydroxide; water / tetrahydrofuran; isopropyl alcohol / 1 h / 20 °C

4: 1H-tetrazole / acetonitrile / 1 h / 20 °C

5: 3-chloro-benzenecarboperoxoic acid / acetonitrile / 0.08 h / 20 °C

With 1H-tetrazole; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; water; sodium acetate; caesium carbonate; 3-chloro-benzenecarboperoxoic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; lithium hydroxide; In tetrahydrofuran; 1,4-dioxane; water; isopropyl alcohol; acetonitrile;

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 phosphate (1433859-86-9)

Guidance literature:

Multi-step reaction with 12 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

12.1: 3-chloro-benzenecarboperoxoic acid / acetonitrile / 0.08 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; 3-chloro-benzenecarboperoxoic acid; 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

Refernces