2-fluoro-N-((13aS)-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-3-yl)benzamide

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Chemical Name:2-fluoro-N-((13aS)-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-3-yl)benzamide
CAS No.:1413928-84-3
Molecular Formula:C₂₀H₁₆FN₅O₂
Molecular Weight:377.378
Hs Code.:

Synonyms:2-fluoro-N-((13aS)-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-3-yl)benzamide

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Chemical Property of 2-fluoro-N-((13aS)-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-3-yl)benzamide

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Technology Process of 2-fluoro-N-((13aS)-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-3-yl)benzamide

There total 3 articles about 2-fluoro-N-((13aS)-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-3-yl)benzamide 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: 75.0%

: 1413928-82-1
(13aS)-3-amino-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-9-one

: 445-29-4
o-fluoro-benzoic acid

: 1413928-84-3
2-fluoro-N-((13aS)-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-3-yl)benzamide

Guidance literature:: With 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 N,N-dimethyl-formamide; at 20 - 50 ℃; for 0.5h;
DOI:10.3390/molecules17088762

Reference yield:

: 118-48-9
isatoic anhydride

: 1413928-84-3
2-fluoro-N-((13aS)-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-3-yl)benzamide

Guidance literature:: Multi-step reaction with 5 steps

1: N,N-dimethyl-formamide / 5 h / 140 °C

2: Lawessons reagent / toluene / 5 h / 70 °C

3: hydrazine hydrate / ethanol / 4 h / 20 °C

4: ethanol / 12 h / 20 °C

5: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.5 h / 20 - 50 °C

With Lawessons reagent; hydrazine hydrate; 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 ethanol; N,N-dimethyl-formamide; toluene;
DOI:10.3390/molecules17088762

Reference yield:

: 191425-86-2
(S)-11-hydrazinyl-2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5(11aH)-one

: 1413928-84-3
2-fluoro-N-((13aS)-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]pyrrolo[1,2-a][1,2,4]triazolo[3,4-c][1,4]diazepin-3-yl)benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 12 h / 20 °C

2: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.5 h / 20 - 50 °C

With 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 ethanol; N,N-dimethyl-formamide;
DOI:10.3390/molecules17088762