(8S,9aS)-5-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-yl 4-nitrobenzoate

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Chemical Name:(8S,9aS)-5-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-yl 4-nitrobenzoate
CAS No.:1613630-19-5
Molecular Formula:C₂₁H₁₉F₃N₄O₅
Molecular Weight:464.401
Hs Code.:

Synonyms:(8S,9aS)-5-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-yl 4-nitrobenzoate

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Chemical Property of (8S,9aS)-5-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-yl 4-nitrobenzoate

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Technology Process of (8S,9aS)-5-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-yl 4-nitrobenzoate

There total 9 articles about (8S,9aS)-5-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-yl 4-nitrobenzoate 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: 94.0%

: 1613630-18-4
(8R,9aS)-8-hydroxy-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

: 62-23-7
4-nitro-benzoic acid

: 1613630-19-5
(8S,9aS)-5-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-yl 4-nitrobenzoate

Guidance literature:: With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at -78 - 20 ℃; for 2h;

Reference yield:

: 40350-83-2,54631-82-2,54631-81-1
(2S,4R)-4-(benzyloxy)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

: 1613630-19-5
(8S,9aS)-5-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-yl 4-nitrobenzoate

Guidance literature:: Multi-step reaction with 7 steps

1.1: isobutyl chloroformate; 4-methyl-morpholine / tetrahydrofuran / 0.5 h / -10 °C

1.2: 0.5 h / 0 °C

2.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 0.25 h / -78 °C

2.2: 0.5 h / -78 - 0 °C

3.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / 16 h / 10 - 25 °C

3.2: 0.5 h / 10 - 25 °C

3.3: 22 h / 5 - 25 °C

4.1: hydrogen; 20% palladium hydroxide-activated charcoal / ethanol / 15 h / 50 °C / 1551.49 Torr

5.1: hydrogenchloride; methanol / 1,4-dioxane / 2 h / 20 °C

6.1: sodium carbonate / dimethyl sulfoxide / 100 °C

7.1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 2 h / -78 - 20 °C

With 4-methyl-morpholine; hydrogenchloride; methanol; oxalyl dichloride; di-isopropyl azodicarboxylate; 20% palladium hydroxide-activated charcoal; hydrogen; sodium carbonate; dimethyl sulfoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine; isobutyl chloroformate; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; dimethyl sulfoxide;

Reference yield:

: 109953-95-9
tert-butyl (2S,4R)-4-(benzyloxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

: 1613630-19-5
(8S,9aS)-5-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-yl 4-nitrobenzoate

Guidance literature:: Multi-step reaction with 6 steps

1.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 0.25 h / -78 °C

1.2: 0.5 h / -78 - 0 °C

2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / 16 h / 10 - 25 °C

2.2: 0.5 h / 10 - 25 °C

2.3: 22 h / 5 - 25 °C

3.1: hydrogen; 20% palladium hydroxide-activated charcoal / ethanol / 15 h / 50 °C / 1551.49 Torr

4.1: hydrogenchloride; methanol / 1,4-dioxane / 2 h / 20 °C

5.1: sodium carbonate / dimethyl sulfoxide / 100 °C

6.1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 2 h / -78 - 20 °C

With hydrogenchloride; methanol; oxalyl dichloride; di-isopropyl azodicarboxylate; 20% palladium hydroxide-activated charcoal; hydrogen; sodium carbonate; dimethyl sulfoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; dimethyl sulfoxide;