{(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester

Base Information

Chemical Name:{(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester
CAS No.:1399845-05-6
Molecular Formula:C₄₄H₄₅N₉O₆
Molecular Weight:795.898
Hs Code.:

{(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester

Synonyms:{(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester

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Chemical Property of {(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester

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Technology Process of {(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester

There total 14 articles about {(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester 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: 4.0%

: 1256389-40-8
((S)-1-{(2S,4R)-2-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-4-cyano-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

: 1399843-88-9
methyl (2S,5S)-4-oxo-2-(5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-imidazol-2-yl)-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-5-ylcarbamate

: 1399845-05-6
{(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester

Guidance literature:: With potassium phosphate; palladium diacetate; ruphos; In water; tert-butyl alcohol; at 90 ℃; for 3h; Sealed tube;

Reference yield:

: 72-18-4,25609-85-2,7004-03-7,921-10-8
L-valine

: 1399845-05-6
{(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydroxide / toluene / 12 h / 20 °C / Cooling with ice

2: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 20 °C

3: potassium phosphate / palladium diacetate; ruphos / water; tert-butyl alcohol / 3 h / 90 °C / Sealed tube

With potassium phosphate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; sodium hydroxide; palladium diacetate; ruphos; In water; N,N-dimethyl-formamide; toluene; tert-butyl alcohol;

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

: 1399845-05-6
{(2S,5S)-2-[5-(4'-{2-[(2S,4R)-4-Cyano-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-5-yl}-carbamic acid methyl ester

Guidance literature:: Multi-step reaction with 6 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 / 4 h / 20 °C

4: N-ethyl-N,N-diisopropylamine; ammonium acetate / xylene / 3 h / 140 °C / Inert atmosphere; Sealed tube

5: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 110 °C / Inert atmosphere; Sealed tube

6: potassium phosphate / palladium diacetate; ruphos / water; tert-butyl alcohol / 3 h / 90 °C / Sealed tube

With piperidine; potassium phosphate; ammonium acetate; potassium acetate; sodium carbonate; N-ethyl-N,N-diisopropylamine; sodium hydroxide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium diacetate; ruphos; In 1,4-dioxane; water; N,N-dimethyl-formamide; acetonitrile; xylene; tert-butyl alcohol;