N-(4,6-Diamino-2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidin-5-yl)-3,3,3-trifluoropropanamide

Base Information

• Chemical Name: N-(4,6-Diamino-2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidin-5-yl)-3,3,3-trifluoropropanamide
• CAS No.: 1234572-62-3
• Molecular Formula: C₂₀H₁₅F₄N₇OS
• Molecular Weight: 477.445
• Mol file: 1234572-62-3.mol

Synonyms:N-(4,6-Diamino-2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidin-5-yl)-3,3,3-trifluoropropanamide

Chemical Property of N-(4,6-Diamino-2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidin-5-yl)-3,3,3-trifluoropropanamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(4,6-Diamino-2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidin-5-yl)-3,3,3-trifluoropropanamide

There total 5 articles about N-(4,6-Diamino-2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidin-5-yl)-3,3,3-trifluoropropanamide 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: 17.0%

3,3,3-trifluoropropanoyl chloride (41463-83-6) + 2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidine-4,5,6-triamine (1234572-51-0) → N-(4,6-Diamino-2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidin-5-yl)-3,3,3-trifluoropropanamide (1234572-62-3)

Guidance literature:

With pyridine; at 0 - 20 ℃; for 42h;

Reference yield:

2-fluorothiophenol (2557-78-0) → N-(4,6-Diamino-2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidin-5-yl)-3,3,3-trifluoropropanamide (1234572-62-3)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate / copper(l) iodide / isopropyl alcohol; ethylene glycol / 20 h / 130 °C

2: caesium carbonate / tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; XPhos / N,N-dimethyl-formamide; toluene / 17 h / 90 °C / Inert atmosphere

3: hydrogen; pyridine / palladium 10% on activated carbon / 17 h / 20 °C / 2625.26 Torr

4: pyridine / 42 h / 0 - 20 °C

With pyridine; hydrogen; potassium carbonate; caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; copper(l) iodide; palladium 10% on activated carbon; XPhos; In ethylene glycol; N,N-dimethyl-formamide; isopropyl alcohol; toluene;

Reference yield:

3-iodoindazole (66607-27-0) → N-(4,6-Diamino-2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidin-5-yl)-3,3,3-trifluoropropanamide (1234572-62-3)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate / copper(l) iodide / isopropyl alcohol; ethylene glycol / 20 h / 130 °C

2: caesium carbonate / tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; XPhos / N,N-dimethyl-formamide; toluene / 17 h / 90 °C / Inert atmosphere

3: hydrogen; pyridine / palladium 10% on activated carbon / 17 h / 20 °C / 2625.26 Torr

4: pyridine / 42 h / 0 - 20 °C

With pyridine; hydrogen; potassium carbonate; caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; copper(l) iodide; palladium 10% on activated carbon; XPhos; In ethylene glycol; N,N-dimethyl-formamide; isopropyl alcohol; toluene;

upstream raw materials:

3,3,3-trifluoropropanoyl chloride

2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}pyrimidine-4,5,6-triamine

2-{3-[(2-fluorophenyl)sulphanyl]-1H-indazol-1-yl}-5-nitropyrimidine-4,6-diamine

2-fluorothiophenol