benzyl (4aS,5aS,9S,11aR)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

Base Information

Chemical Name:benzyl (4aS,5aS,9S,11aR)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate
CAS No.:1595087-05-0
Molecular Formula:C₂₅H₃₃N₃O₅
Molecular Weight:455.554
Hs Code.:

Synonyms:benzyl (4aS,5aS,9S,11aR)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

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Chemical Property of benzyl (4aS,5aS,9S,11aR)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

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Technology Process of benzyl (4aS,5aS,9S,11aR)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

There total 9 articles about benzyl (4aS,5aS,9S,11aR)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate 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: 87.0%

: benzyl 1-((S)-2-(tert-butoxycarbonylamino)pent-4-enoyl)-2-vinylhexahydro-1H-pyrrolo[2,3-c]pyridine-6(2H)-carboxylate

: 1595087-03-8
benzyl (4aR,5aR,9S,11aS)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

: 1595087-05-0
benzyl (4aS,5aS,9S,11aR)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

Guidance literature:: With Grubbs catalyst first generation; In dichloromethane; at 40 ℃; Inert atmosphere;
DOI:10.1016/j.bmcl.2014.02.016

Reference yield:

: 6-benzyl 1-tert-butyl 2-(hydroxymethyl)hexahydro-1H-pyrrolo[2,3-c]pyridine-1,6(2H)-dicarboxylate

: 1595087-03-8
benzyl (4aR,5aR,9S,11aS)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

: 1595087-05-0
benzyl (4aS,5aS,9S,11aR)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1.1: Dess-Martin periodane / dichloromethane / 3 h / 20 °C

2.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / 20 °C

2.2: 3 h / 20 °C

3.1: hydrogenchloride; water / 1,4-dioxane / 2 h / 20 °C

4.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 4-methyl-morpholine / dichloromethane / 0.25 h / 0 °C

4.2: 20 °C

5.1: Grubbs catalyst first generation / dichloromethane / 40 °C / Inert atmosphere

With 4-methyl-morpholine; Grubbs catalyst first generation; hydrogenchloride; n-butyllithium; water; benzotriazol-1-ol; Dess-Martin periodane; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; 1,4-dioxane; hexane; dichloromethane;
DOI:10.1016/j.bmcl.2014.02.016

Reference yield:

: 24334-19-8
ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate

: 1595087-03-8
benzyl (4aR,5aR,9S,11aS)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

: 1595087-05-0
benzyl (4aS,5aS,9S,11aR)-9-[(tert-butoxycarbonyl)amino]-10-oxo-1,3,4,4a,5,5a,8,9,10,11a-decahydro-2H-pyrido[4',3':4,5]pyrrolo[1,2-a]azepine-2-carboxylate

Guidance literature:: Multi-step reaction with 9 steps

1.1: dmap / tetrahydrofuran / 1 h / 20 °C

2.1: 5% rhodium on activated aluminium oxide; hydrogen / tetrahydrofuran / 48 h / 50 °C / 10343.2 Torr

3.1: triethylamine / dichloromethane / 0.5 h / 0 °C

4.1: lithium borohydride / tetrahydrofuran / 2 h / 55 °C

5.1: Dess-Martin periodane / dichloromethane / 3 h / 20 °C

6.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / 20 °C

6.2: 3 h / 20 °C

7.1: hydrogenchloride; water / 1,4-dioxane / 2 h / 20 °C

8.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 4-methyl-morpholine / dichloromethane / 0.25 h / 0 °C

8.2: 20 °C

9.1: Grubbs catalyst first generation / dichloromethane / 40 °C / Inert atmosphere

With 4-methyl-morpholine; Grubbs catalyst first generation; hydrogenchloride; dmap; lithium borohydride; n-butyllithium; 5% rhodium on activated aluminium oxide; water; hydrogen; benzotriazol-1-ol; Dess-Martin periodane; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; 1,4-dioxane; hexane; dichloromethane;
DOI:10.1016/j.bmcl.2014.02.016