sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

Base Information

• Chemical Name: sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
• CAS No.: 1380302-86-2
• Molecular Formula: C₃₀H₃₂F₃N₇O₆P*Na
• Molecular Weight: 697.586
• Mol file: 1380302-86-2.mol

Synonyms:sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

Chemical Property of sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

There total 14 articles about sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate 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:

diethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate (1257996-05-6) → sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate (1380302-86-2)

Guidance literature:

With sodium iodide; In butanone; at 120 ℃; for 7h; Microwave irradiation;

Reference yield:

methyl 3-bromo-2-(bromomethyl)benzoate (337536-14-8) → sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate (1380302-86-2)

Guidance literature:

Multi-step reaction with 7 steps

1.1: ethanol; tetrahydrofuran / 2 h

2.1: nitric acid / sulfuric acid / 2.83 h / 0 - 20 °C

3.1: potassium acetate / tricyclohexylphosphine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / 1,4-dioxane / 6 h / Inert atmosphere; Reflux

4.1: potassium carbonate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,4-dioxane; water / 0.75 h / 100 °C / Microwave irradiation

5.1: hydrogen / palladium 10% on activated carbon / ethanol; water / 2 h / 20 °C

6.1: trifluoroacetic acid / 2,2,2-trifluoroethanol / 1 h / 105 °C / Microwave irradiation

6.2: 2 h / 0 - 20 °C

7.1: sodium iodide / butanone / 7 h / 120 °C / Microwave irradiation

With hydrogen; nitric acid; potassium acetate; potassium carbonate; trifluoroacetic acid; sodium iodide; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sulfuric acid; palladium 10% on activated carbon; tricyclohexylphosphine; In tetrahydrofuran; 1,4-dioxane; ethanol; 2,2,2-trifluoroethanol; water; butanone;

Reference yield:

4-(chloromethyl)-2-methoxy-1-nitrobenzene (68837-96-7) → sodium ethyl (4-{[4-({7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate (1380302-86-2)

Guidance literature:

Multi-step reaction with 5 steps

1.1: 16 h / 100 °C / Sealed tube

2.1: hydrogen / palladium 10% on activated carbon / ethanol / 16 h

3.1: zinc(II) chloride / diethyl ether; 1,2-dichloro-ethane; tert-butyl alcohol / 0.5 h

3.2: 20 °C

4.1: trifluoroacetic acid / 2,2,2-trifluoroethanol / 1 h / 105 °C / Microwave irradiation

4.2: 2 h / 0 - 20 °C

5.1: sodium iodide / butanone / 7 h / 120 °C / Microwave irradiation

With hydrogen; trifluoroacetic acid; sodium iodide; zinc(II) chloride; palladium 10% on activated carbon; In diethyl ether; ethanol; 2,2,2-trifluoroethanol; 1,2-dichloro-ethane; butanone; tert-butyl alcohol;

upstream raw materials:

(3-methoxy-4-nitrophenyl)methanol

2,4-dichloro-5-trifluoromethylpyrimidine

methyl 3-bromo-2-(bromomethyl)benzoate

4-(chloromethyl)-2-methoxy-1-nitrobenzene

Refernces