((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester

Base Information

Chemical Name:((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester
CAS No.:1399844-26-8
Molecular Formula:C₄₁H₄₂F₂N₁₀O₆
Molecular Weight:808.845
Hs Code.:

((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester

Synonyms:((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester

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Chemical Property of ((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester

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Technology Process of ((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester

There total 6 articles about ((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester 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: 35.0%

: 1399844-24-6
methyl (2S,5S)-2-(5-(2-chloropyrimidin-5-yl)-1H-imidazol-2-yl)-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-5-ylcarbamate

: 1399843-28-7
methyl ((S)-1-((S)-4,4-difluoro-2-(5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

: 1399844-26-8
((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester

Guidance literature:: methyl (2S,5S)-2-(5-(2-chloropyrimidin-5-yl)-1H-imidazol-2-yl)-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-5-ylcarbamate; methyl ((S)-1-((S)-4,4-difluoro-2-(5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate; With sodium hydrogencarbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In ethanol; water; toluene; at 90 ℃; for 5h; Inert atmosphere;

With hydrogenchloride; In ethanol; water; toluene;

Reference yield:

: 204326-24-9
(2S,11S)-11-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)-12-oxo-1-azatricyclo[6.4.1.0^[4,13]]trideca-4⁽¹³⁾,5,7-triene-2-carboxylic acid

: 1399844-26-8
((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester

Guidance literature:: Multi-step reaction with 5 steps

1: piperidine / N,N-dimethyl-formamide / 1 h / 20 °C

2: sodium hydroxide; sodium carbonate / water / 3 h / 20 °C / Cooling with ice

3: N-ethyl-N,N-diisopropylamine / acetonitrile / 3 h / 20 °C

4: ammonium acetate / xylene / 3 h / 140 °C

5: sodium hydrogencarbonate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / toluene; ethanol; water / 5 h / 90 °C / Inert atmosphere

With piperidine; ammonium acetate; sodium hydrogencarbonate; sodium carbonate; N-ethyl-N,N-diisopropylamine; sodium hydroxide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In ethanol; water; N,N-dimethyl-formamide; toluene; acetonitrile; xylene;

Reference yield:

: 5-(S)-amino-1,2,4,5,6,7-hexahydro-azepino <3,2,1-hi> indole-4-one-2-(S)-carboxylic acid

: 1399844-26-8
((2S,5S)-2-{5-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-4,4-difluoro-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl)-carbamic acid methylester

Guidance literature:: Multi-step reaction with 4 steps

1: sodium hydroxide; sodium carbonate / water / 3 h / 20 °C / Cooling with ice

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 3 h / 20 °C

3: ammonium acetate / xylene / 3 h / 140 °C

4: sodium hydrogencarbonate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / toluene; ethanol; water / 5 h / 90 °C / Inert atmosphere

With ammonium acetate; sodium hydrogencarbonate; sodium carbonate; N-ethyl-N,N-diisopropylamine; sodium hydroxide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In ethanol; water; toluene; acetonitrile; xylene;