tert-butyl 5-(5-(5-chloropicolinamido)-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-ylcarbamate

Base Information

Chemical Name:tert-butyl 5-(5-(5-chloropicolinamido)-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-ylcarbamate
CAS No.:1262860-37-6
Molecular Formula:C₂₃H₂₄ClF₃N₄O₄
Molecular Weight:512.916
Hs Code.:

Synonyms:tert-butyl 5-(5-(5-chloropicolinamido)-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-ylcarbamate

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Chemical Property of tert-butyl 5-(5-(5-chloropicolinamido)-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-ylcarbamate

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Technology Process of tert-butyl 5-(5-(5-chloropicolinamido)-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-ylcarbamate

There total 14 articles about tert-butyl 5-(5-(5-chloropicolinamido)-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-ylcarbamate 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:

: 93777-26-5
5-bromo-2-fluorobenzaldehyde

: 1262860-37-6
tert-butyl 5-(5-(5-chloropicolinamido)-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-ylcarbamate

Guidance literature:: Multi-step reaction with 15 steps

1: indium / hexane; N,N-dimethyl-formamide / 24 h / 30 °C / Cooling with ice

2: sodium tetrahydroborate / methanol; hexane / 1.5 h / 0 °C

3: 1H-imidazole / dichloromethane / 2.75 h / 0 °C / Cooling with ice

4: dipyridinium dichromate / hexane; dichloromethane / 16 h / Reflux

5: titanium(IV) tetraethanolate / tetrahydrofuran; hexane / 16 h / Reflux

6: diethyl ether; hexane / 0.5 h / -35 - 0 °C

7: hydrogenchloride / methanol; hexane / 0.5 h / -22 °C

8: sodium carbonate / dichloromethane; water / 0.67 h / 0 °C / Cooling with ice

9: potassium tert-butylate / tert-butyl alcohol / 1.5 h / 20 °C / Reflux

10: Lawessons reagent / tetrahydrofuran; hexane / 16 h / Reflux

11: ammonia / methanol / 24 h / 20 °C / Sealed vessel

12: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C

13: sodium azide; sodium L-ascorbate / copper(l) iodide; cis-N,N'-dimethyl-1,2-diaminocyclohexane / ethanol; hexane; water; ethyl acetate / 0.33 h / 70 °C / Inert atmosphere

14: hydrogen / palladium 10% on activated carbon / ethyl acetate / 1 h / 20 °C

15: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 24 h / 20 °C

With Lawessons reagent; 1H-imidazole; hydrogenchloride; titanium(IV) tetraethanolate; indium; sodium tetrahydroborate; dipyridinium dichromate; sodium azide; 1-hydroxy-7-aza-benzotriazole; potassium tert-butylate; ammonia; hydrogen; sodium carbonate; sodium L-ascorbate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; copper(l) iodide; palladium 10% on activated carbon; cis-N,N'-dimethyl-1,2-diaminocyclohexane; In tetrahydrofuran; methanol; diethyl ether; ethanol; hexane; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; tert-butyl alcohol;

Reference yield:

: 1262860-23-0
1-(5-bromo-2-fluorophenyl)-2,2-difluoropropane-1,3-diol

: 1262860-37-6
tert-butyl 5-(5-(5-chloropicolinamido)-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-ylcarbamate

Guidance literature:: Multi-step reaction with 13 steps

1: 1H-imidazole / dichloromethane / 2.75 h / 0 °C / Cooling with ice

2: dipyridinium dichromate / hexane; dichloromethane / 16 h / Reflux

3: titanium(IV) tetraethanolate / tetrahydrofuran; hexane / 16 h / Reflux

4: diethyl ether; hexane / 0.5 h / -35 - 0 °C

5: hydrogenchloride / methanol; hexane / 0.5 h / -22 °C

6: sodium carbonate / dichloromethane; water / 0.67 h / 0 °C / Cooling with ice

7: potassium tert-butylate / tert-butyl alcohol / 1.5 h / 20 °C / Reflux

8: Lawessons reagent / tetrahydrofuran; hexane / 16 h / Reflux

9: ammonia / methanol / 24 h / 20 °C / Sealed vessel

10: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C

11: sodium azide; sodium L-ascorbate / copper(l) iodide; cis-N,N'-dimethyl-1,2-diaminocyclohexane / ethanol; hexane; water; ethyl acetate / 0.33 h / 70 °C / Inert atmosphere

12: hydrogen / palladium 10% on activated carbon / ethyl acetate / 1 h / 20 °C

13: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 24 h / 20 °C

With Lawessons reagent; 1H-imidazole; hydrogenchloride; titanium(IV) tetraethanolate; dipyridinium dichromate; sodium azide; 1-hydroxy-7-aza-benzotriazole; potassium tert-butylate; ammonia; hydrogen; sodium carbonate; sodium L-ascorbate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; copper(l) iodide; palladium 10% on activated carbon; cis-N,N'-dimethyl-1,2-diaminocyclohexane; In tetrahydrofuran; methanol; diethyl ether; ethanol; hexane; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; tert-butyl alcohol;

Reference yield:

: 1262860-31-0
5-(5-bromo-2-fluorophenyl)-6,6-difluoro-5-methyl-1,4-oxazepan-3-one

: 1262860-37-6
tert-butyl 5-(5-(5-chloropicolinamido)-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-ylcarbamate

Guidance literature:: Multi-step reaction with 6 steps

1: Lawessons reagent / tetrahydrofuran; hexane / 16 h / Reflux

2: ammonia / methanol / 24 h / 20 °C / Sealed vessel

3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C

4: sodium azide; sodium L-ascorbate / copper(l) iodide; cis-N,N'-dimethyl-1,2-diaminocyclohexane / ethanol; hexane; water; ethyl acetate / 0.33 h / 70 °C / Inert atmosphere

5: hydrogen / palladium 10% on activated carbon / ethyl acetate / 1 h / 20 °C

6: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 24 h / 20 °C

With Lawessons reagent; sodium azide; 1-hydroxy-7-aza-benzotriazole; ammonia; hydrogen; sodium L-ascorbate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; copper(l) iodide; palladium 10% on activated carbon; cis-N,N'-dimethyl-1,2-diaminocyclohexane; In tetrahydrofuran; methanol; ethanol; hexane; water; ethyl acetate; N,N-dimethyl-formamide;