methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Base Information

Chemical Name:methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CAS No.:1272655-75-0
Molecular Formula:C₄₄H₅₇N₇O₁₀S
Molecular Weight:876.043
Hs Code.:

methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Synonyms:methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

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Chemical Property of methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

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Technology Process of methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

There total 16 articles about methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate 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: 49.0%

: 1272655-75-0
methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Guidance literature:

Reference yield:

: 99-73-0,132309-76-3
para-bromophenacyl bromide

: 1272655-75-0
methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Guidance literature:: Multi-step reaction with 6 steps

1: hexamethylenetetramine / toluene / 16 h / 40 °C / Inert atmosphere

2: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

3: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 16 h / 20 - 80 °C / Inert atmosphere

4: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate / 1,2-dimethoxyethane; water / 16 h / 80 °C / Inert atmosphere

5: hydrogenchloride / dichloromethane; 1,4-dioxane

6: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 2 h / 20 °C / Inert atmosphere

With hydrogenchloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; hexamethylenetetramine; potassium acetate; sodium hydrogencarbonate; triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In 1,4-dioxane; 1,2-dimethoxyethane; dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm4013104

Reference yield:

: C₁₀H₁₇NO₂S

: 1272655-75-0
methyl N-[(2S)-1-[3-({2-[4-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-2-oxoethyl}carbamoyl)-8,8-dioxido-8-thia-2-azaspiro[4.5]decan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Guidance literature:: Multi-step reaction with 5 steps

1: triethylamine / tetrahydrofuran / Inert atmosphere

2: hydrogen / ethanol / Inert atmosphere

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

4: lithium hydroxide / water; tetrahydrofuran; methanol / 2 h / 20 °C

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

With hydrogen; 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; lithium hydroxide; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm4013104