(8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

Base Information

Chemical Name:(8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one
CAS No.:1613628-47-9
Molecular Formula:C₂₂H₂₃F₃N₄O₄S
Molecular Weight:496.51
Hs Code.:

Synonyms:(8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

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Chemical Property of (8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

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Technology Process of (8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

There total 12 articles about (8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one 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: 48.4%

: 2991-42-6
4-trifluorophenylsulfonyl chloride

: 1613630-31-1
(8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one hydrochloride

: 1613628-47-9
(8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; for 18h;

Reference yield:

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

: 1613628-47-9
(8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

Guidance literature:: Multi-step reaction with 11 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

4.1: hydrogenchloride / methanol; 1,4-dioxane / 18 h / 20 °C

5.1: triethylamine / ethanol / 48 h / Reflux

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

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

8.1: potassium carbonate / methanol / 1 h / 20 °C

9.1: potassium tert-butylate / tetrahydrofuran; dichloromethane / 72 h / 20 °C

10.1: hydrogenchloride / methanol; 1,4-dioxane; dichloromethane / 3 h / 20 °C

11.1: triethylamine / dichloromethane / 18 h / 20 °C

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

Reference yield:

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

: 1613628-47-9
(8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

Guidance literature:: Multi-step reaction with 10 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

3.1: hydrogenchloride / methanol; 1,4-dioxane / 18 h / 20 °C

4.1: triethylamine / ethanol / 48 h / Reflux

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

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

7.1: potassium carbonate / methanol / 1 h / 20 °C

8.1: potassium tert-butylate / tetrahydrofuran; dichloromethane / 72 h / 20 °C

9.1: hydrogenchloride / methanol; 1,4-dioxane; dichloromethane / 3 h / 20 °C

10.1: triethylamine / dichloromethane / 18 h / 20 °C

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