9-chloro-2-(5-(3-(dimethylamino)propyl)-2-(trifluoromethyl)phenylamino)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione

Base Information

• Chemical Name: 9-chloro-2-(5-(3-(dimethylamino)propyl)-2-(trifluoromethyl)phenylamino)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione
• CAS No.: 1350816-09-9
• Molecular Formula: C₂₄H₂₃ClF₃N₅S
• Molecular Weight: 505.994

Synonyms:9-chloro-2-(5-(3-(dimethylamino)propyl)-2-(trifluoromethyl)phenylamino)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione

Chemical Property of 9-chloro-2-(5-(3-(dimethylamino)propyl)-2-(trifluoromethyl)phenylamino)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione

Chemical Property:

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Technology Process of 9-chloro-2-(5-(3-(dimethylamino)propyl)-2-(trifluoromethyl)phenylamino)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione

There total 11 articles about 9-chloro-2-(5-(3-(dimethylamino)propyl)-2-(trifluoromethyl)phenylamino)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione 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: 20.0%

9-chloro-2-{[5-[3-(dimethylamino)propyl]-2-(trifluoromethyl)phenyl]amino}-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-one (1350816-41-9) → 9-chloro-2-(5-(3-(dimethylamino)propyl)-2-(trifluoromethyl)phenylamino)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione (1350816-09-9)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; at 60 ℃;

DOI:10.1021/jm2011172

Reference yield:

4-bromo-2-nitro-1-(trifluoromethyl)benzene (251115-21-6) → 9-chloro-2-(5-(3-(dimethylamino)propyl)-2-(trifluoromethyl)phenylamino)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione (1350816-09-9)

Guidance literature:

Multi-step reaction with 6 steps

1.1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; triethylamine / 20 °C / Inert atmosphere

1.2: 80 °C / Inert atmosphere

2.1: hydrogen; palladium(II) hydroxide / methanol

3.1: mercury (II) chloride; triethylamine / dichloromethane / 20 °C / Inert atmosphere

4.1: hydrogenchloride / 1,4-dioxane / 20 °C

5.1: potassium carbonate / N,N-dimethyl-formamide / 125 °C / Inert atmosphere

6.1: Lawessons reagent / tetrahydrofuran / 60 °C

With Lawessons reagent; hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; hydrogen; palladium(II) hydroxide; potassium carbonate; mercury (II) chloride; triethylamine; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; N,N-dimethyl-formamide; 1.1: Sonogashira coupling / 1.2: Sonogashira coupling;

DOI:10.1021/jm2011172

Reference yield:

2-amino-4-chloro-benzoic acid methyl ester (5900-58-3) → 9-chloro-2-(5-(3-(dimethylamino)propyl)-2-(trifluoromethyl)phenylamino)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione (1350816-09-9)

Guidance literature:

Multi-step reaction with 6 steps

1.1: dmap; N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C

2.1: potassium tert-butylate / tetrahydrofuran / 10 °C

2.2: 20 °C / pH 4

3.1: water / dimethyl sulfoxide / 150 °C / Cooling

3.2: 0 °C

4.1: tetrahydrofuran / 2 h / 60 °C / Inert atmosphere

5.1: potassium carbonate / N,N-dimethyl-formamide / 125 °C / Inert atmosphere

6.1: Lawessons reagent / tetrahydrofuran / 60 °C

With Lawessons reagent; dmap; potassium tert-butylate; water; potassium carbonate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide; 2.1: Dieckmann reaction;

DOI:10.1021/jm2011172

upstream raw materials:

N,N-Dimethylpropargylamin

2-amino-4-chloro-benzoic acid methyl ester

4-bromo-2-nitro-1-(trifluoromethyl)benzene

C₁₂H₁₁F₃N₂O₂

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