5-[2-(hydroxymethyl)-3-(5-{[5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]-8-thia-5-azatricyclo[7.4.0.0(2,7)]trideca-1⁽⁹⁾,2⁽⁷⁾-dien-6-one

Base Information

• Chemical Name: 5-[2-(hydroxymethyl)-3-(5-{[5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]-8-thia-5-azatricyclo[7.4.0.0(2,7)]trideca-1⁽⁹⁾,2⁽⁷⁾-dien-6-one
• CAS No.: 1346669-68-8
• Molecular Formula: C₃₀H₃₄N₆O₄S
• Molecular Weight: 574.704

Synonyms:5-[2-(hydroxymethyl)-3-(5-{[5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]-8-thia-5-azatricyclo[7.4.0.0(2,7)]trideca-1⁽⁹⁾,2⁽⁷⁾-dien-6-one

Chemical Property of 5-[2-(hydroxymethyl)-3-(5-{[5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]-8-thia-5-azatricyclo[7.4.0.0(2,7)]trideca-1⁽⁹⁾,2⁽⁷⁾-dien-6-one

Chemical Property:

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Technology Process of 5-[2-(hydroxymethyl)-3-(5-{[5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]-8-thia-5-azatricyclo[7.4.0.0(2,7)]trideca-1⁽⁹⁾,2⁽⁷⁾-dien-6-one

There total 18 articles about 5-[2-(hydroxymethyl)-3-(5-{[5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]-8-thia-5-azatricyclo[7.4.0.0(2,7)]trideca-1⁽⁹⁾,2⁽⁷⁾-dien-6-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: 61.0%

C32H36N6O5S (1346673-01-5) → 5-[2-(hydroxymethyl)-3-(5-{[5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]-8-thia-5-azatricyclo[7.4.0.0(2,7)]trideca-1(9),2(7)-dien-6-one (1346669-68-8)

Guidance literature:

C₃₂H₃₆N₆O₅S; With water; lithium hydroxide; In tetrahydrofuran; isopropyl alcohol; at 50 ℃; for 2h;

With hydrogenchloride; In water; ethyl acetate;

With sodium hydroxide; In water; ethyl acetate; pH=7;

Reference yield:

4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid (40133-07-1) → 5-[2-(hydroxymethyl)-3-(5-{[5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]-8-thia-5-azatricyclo[7.4.0.0(2,7)]trideca-1(9),2(7)-dien-6-one (1346669-68-8)

Guidance literature:

Multi-step reaction with 11 steps

1.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

2.1: triethylamine / dichloromethane / 16 h / 0 - 20 °C

3.1: tetrahydrofuran / 4 h / -10 - 0 °C / Inert atmosphere

4.1: hydrogenchloride / dichloromethane; diethyl ether / 1 h / 20 °C

5.1: sulfuric acid / 16 h / 95 °C

6.1: hydroxylamine hydrochloride; sodium acetate / methanol / 16 h / 20 °C / Inert atmosphere

7.1: polyphosphoric acid / 16 h / 80 °C / Inert atmosphere

8.1: caesium carbonate / copper(l) iodide; N,N`-dimethylethylenediamine / 1,4-dioxane / 16 h / 100 °C / Inert atmosphere

9.1: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 8 h / 90 °C / Inert atmosphere

10.1: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane / 0.42 h / 130 °C / Inert atmosphere; microwave irradiation

11.1: water; lithium hydroxide / isopropyl alcohol; tetrahydrofuran / 2 h / 50 °C

11.3: pH 7

With hydrogenchloride; oxalyl dichloride; sulfuric acid; hydroxylamine hydrochloride; water; potassium acetate; sodium acetate; sodium carbonate; caesium carbonate; triethylamine; lithium hydroxide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; N,N-dimethyl-formamide; N,N`-dimethylethylenediamine; In tetrahydrofuran; 1,4-dioxane; methanol; 1,2-dimethoxyethane; diethyl ether; dichloromethane; isopropyl alcohol;

Reference yield:

methyl 1-methyl-3-aminopyrazole-5-carboxylate (89088-56-2) → 5-[2-(hydroxymethyl)-3-(5-{[5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]-8-thia-5-azatricyclo[7.4.0.0(2,7)]trideca-1(9),2(7)-dien-6-one (1346669-68-8)

Guidance literature:

Multi-step reaction with 4 steps

1.1: caesium carbonate / 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / 1,4-dioxane; tetrahydrofuran / 6 h / 100 °C / Inert atmosphere

2.1: toluene; diethyl ether; tetrahydrofuran / 3 h / -30 - 20 °C / Inert atmosphere

2.3: pH ~ 6 - 7

3.1: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane / 0.42 h / 130 °C / Inert atmosphere; microwave irradiation

4.1: water; lithium hydroxide / isopropyl alcohol; tetrahydrofuran / 2 h / 50 °C

4.3: pH 7

With water; sodium carbonate; caesium carbonate; lithium hydroxide; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; 1,4-dioxane; 1,2-dimethoxyethane; diethyl ether; isopropyl alcohol; toluene;

upstream raw materials:

4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid

4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid chloride

methyl 1-methyl-3-aminopyrazole-5-carboxylate

2,6-dibromotoluene

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