benzyl (4aR,5aR,9S,11aS)-9-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 hydrochloride

Base Information

Chemical Name:benzyl (4aR,5aR,9S,11aS)-9-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 hydrochloride
CAS No.:1595087-13-0
Molecular Formula:C₂₀H₂₅N₃O₃*ClH
Molecular Weight:391.898
Hs Code.:

Synonyms:benzyl (4aR,5aR,9S,11aS)-9-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 hydrochloride

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Chemical Property of benzyl (4aR,5aR,9S,11aS)-9-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 hydrochloride

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Technology Process of benzyl (4aR,5aR,9S,11aS)-9-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 hydrochloride

There total 9 articles about benzyl (4aR,5aR,9S,11aS)-9-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 hydrochloride 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: 90.0%

: 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

: 1595087-13-0
benzyl (4aR,5aR,9S,11aS)-9-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 hydrochloride

Guidance literature:: With hydrogenchloride; water; In 1,4-dioxane; at 20 ℃; for 1h;
DOI:10.1016/j.bmcl.2014.02.016

Reference yield:

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

: 1595087-13-0
benzyl (4aR,5aR,9S,11aS)-9-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 hydrochloride

Guidance literature:: Multi-step reaction with 10 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

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

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

Reference yield:

: 104408-90-4
1-tert-butoxycarbonylpyrrolo[2,3-c]pyridine-2-carboxylic acid ethyl ester

: 1595087-13-0
benzyl (4aR,5aR,9S,11aS)-9-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 hydrochloride

Guidance literature:: Multi-step reaction with 9 steps

1.1: 5% rhodium on activated aluminium oxide; hydrogen / tetrahydrofuran / 48 h / 50 °C / 10343.2 Torr

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

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

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

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

5.2: 3 h / 20 °C

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

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

7.2: 20 °C

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

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

With 4-methyl-morpholine; Grubbs catalyst first generation; hydrogenchloride; 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