(5R,6R)-5-{5-[((4-chloro-1-difluoromethyl-1H-pyrazol-3-yl)methyl)-amino]-2-fluoro-phenyl}-6-fluoro-5-methyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine

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Chemical Name:(5R,6R)-5-{5-[((4-chloro-1-difluoromethyl-1H-pyrazol-3-yl)methyl)-amino]-2-fluoro-phenyl}-6-fluoro-5-methyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine
CAS No.:1400682-60-1
Molecular Formula:C₁₇H₁₈ClF₄N₅O
Molecular Weight:419.809
Hs Code.:

Synonyms:(5R,6R)-5-{5-[((4-chloro-1-difluoromethyl-1H-pyrazol-3-yl)methyl)-amino]-2-fluoro-phenyl}-6-fluoro-5-methyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine

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Chemical Property of (5R,6R)-5-{5-[((4-chloro-1-difluoromethyl-1H-pyrazol-3-yl)methyl)-amino]-2-fluoro-phenyl}-6-fluoro-5-methyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine

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Technology Process of (5R,6R)-5-{5-[((4-chloro-1-difluoromethyl-1H-pyrazol-3-yl)methyl)-amino]-2-fluoro-phenyl}-6-fluoro-5-methyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine

There total 13 articles about (5R,6R)-5-{5-[((4-chloro-1-difluoromethyl-1H-pyrazol-3-yl)methyl)-amino]-2-fluoro-phenyl}-6-fluoro-5-methyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine 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: 4.5%

: 1346145-95-6
(5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-amine

: 1357098-11-3
4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carbaldehyde

: 1400682-60-1
(5R,6R)-5-{5-[((4-chloro-1-difluoromethyl-1H-pyrazol-3-yl)methyl)-amino]-2-fluoro-phenyl}-6-fluoro-5-methyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine

Guidance literature:: (5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-amine; 4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carbaldehyde; In methanol; at 23 ℃; for 1h; Inert atmosphere;

With nido-decaborane; In methanol; at 45 ℃; for 15h; Inert atmosphere;

Reference yield:

: 925179-02-8
1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid

: 1400682-60-1
(5R,6R)-5-{5-[((4-chloro-1-difluoromethyl-1H-pyrazol-3-yl)methyl)-amino]-2-fluoro-phenyl}-6-fluoro-5-methyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine

Guidance literature:: Multi-step reaction with 6 steps

1.1: sulfuric acid / 2 h / 0 °C / Reflux

2.1: N-chloro-succinimide / N,N-dimethyl-formamide / 50 °C

3.1: lithium hydroxide / water; tetrahydrofuran; methanol / 1 h / 23 °C

4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 4-methyl-morpholine / dichloromethane / 16 h / 23 °C

5.1: lithium aluminium tetrahydride / tetrahydrofuran / 0.5 h / 0 °C

6.1: methanol / 1 h / 23 °C / Inert atmosphere

6.2: 15 h / 45 °C / Inert atmosphere

With 4-methyl-morpholine; N-chloro-succinimide; lithium aluminium tetrahydride; sulfuric acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide;

Reference yield:

: 1346145-55-8
(2R,3R)-ethyl 3-((R)-1,1-dimethylethylsulfinamido)-2-fluoro-3-(2-fluorophenyl)butanoate

: 1400682-60-1
(5R,6R)-5-{5-[((4-chloro-1-difluoromethyl-1H-pyrazol-3-yl)methyl)-amino]-2-fluoro-phenyl}-6-fluoro-5-methyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine

Guidance literature:: Multi-step reaction with 7 steps

1.1: lithium borohydride / tetrahydrofuran / 4 h / 0 °C

2.1: tetra-(n-butyl)ammonium iodide; silver(l) oxide / dichloromethane / 2 h

3.1: hydrogenchloride / 1,4-dioxane / 1 h / 22 °C

4.1: trimethylaluminum / toluene / 1 h / 22 - 80 °C

5.1: nitric acid; sulfuric acid / 0.83 h / 0 °C

5.2: pH 9

6.1: hydrogen / palladium 10% on activated carbon / ethanol / 2 h / 22 °C

7.1: methanol / 1 h / 23 °C / Inert atmosphere

7.2: 15 h / 45 °C / Inert atmosphere

With hydrogenchloride; lithium borohydride; sulfuric acid; hydrogen; trimethylaluminum; nitric acid; tetra-(n-butyl)ammonium iodide; silver(l) oxide; palladium 10% on activated carbon; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; dichloromethane; toluene;