(8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{(methylamino)[3-(trifluoromethyl)phenyl]acetyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

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Chemical Name:(8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{(methylamino)[3-(trifluoromethyl)phenyl]acetyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one
CAS No.:1613628-27-5
Molecular Formula:C₂₅H₂₈F₃N₅O₃
Molecular Weight:503.524
Hs Code.:

Synonyms:(8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{(methylamino)[3-(trifluoromethyl)phenyl]acetyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

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Chemical Property of (8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{(methylamino)[3-(trifluoromethyl)phenyl]acetyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

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Technology Process of (8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{(methylamino)[3-(trifluoromethyl)phenyl]acetyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

There total 12 articles about (8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{(methylamino)[3-(trifluoromethyl)phenyl]acetyl}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: 23.0%

: C₂₅H₂₇F₃N₄O₆S

: 74-89-5
methylamine

: 1613628-27-5
(8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{(methylamino)[3-(trifluoromethyl)phenyl]acetyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

Guidance literature:: In tetrahydrofuran; at 45 ℃; for 16h;

Reference yield:

: 136024-61-8
(4R)-benzyloxy-(2S)-formylpyrrolidine-1-carboxylic acid tert-butyl ester

: 1613628-27-5
(8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{(methylamino)[3-(trifluoromethyl)phenyl]acetyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one

Guidance literature:: Multi-step reaction with 7 steps

1.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / 16 h / 10 - 25 °C

1.2: 0.5 h / 10 - 25 °C

1.3: 22 h / 5 - 25 °C

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

3.1: potassium tert-butylate / tetrahydrofuran / 48 h / 20 °C

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

5.1: 4-methyl-morpholine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 16 h / 20 °C

6.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 16 h / 20 °C

7.1: tetrahydrofuran / 16 h / 45 °C

With 4-methyl-morpholine; hydrogenchloride; methanol; 20% palladium hydroxide-activated charcoal; potassium tert-butylate; hydrogen; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

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

: 1613628-27-5
(8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{(methylamino)[3-(trifluoromethyl)phenyl]acetyl}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: potassium tert-butylate / tetrahydrofuran / 48 h / 20 °C

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

9.1: 4-methyl-morpholine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 16 h / 20 °C

10.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 16 h / 20 °C

11.1: tetrahydrofuran / 16 h / 45 °C

With 4-methyl-morpholine; hydrogenchloride; methanol; oxalyl dichloride; 20% palladium hydroxide-activated charcoal; potassium tert-butylate; hydrogen; dimethyl sulfoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; isobutyl chloroformate; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; dichloromethane; N,N-dimethyl-formamide;