4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid

Base Information

Chemical Name:4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid
CAS No.:1608150-73-7
Molecular Formula:C₅₂H₇₀N₆O₁₀
Molecular Weight:939.162
Hs Code.:

4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid

Synonyms:4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid

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Chemical Property of 4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid

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Technology Process of 4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid

There total 7 articles about 4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid 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: 99.0%

: 108-30-5
succinic acid anhydride

: 1608150-72-6
tert-butyl ((S)-1-(((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-7-(2-((4-((((benzyloxy)carbonyl)amino)methyl)benzyl)(tert-butoxycarbonyl)amino)ethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-6-yl)amino)-1-oxobutan-2-yl)(methyl)carbamate

: 1608150-73-7
4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid

Guidance literature:: With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1039/c4ob00207e

Reference yield:

: 39895-56-2
4-hydroxymethyl-benzylamine

: 1608150-73-7
4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid

Guidance literature:: Multi-step reaction with 7 steps

1.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.08 h / 0 °C / Inert atmosphere

1.2: 0 - 20 °C / Inert atmosphere

2.1: manganese(IV) oxide / tetrahydrofuran / 20 °C / Inert atmosphere

3.1: N-ethyl-N,N-diisopropylamine / methanol / 5 h / 20 °C / Inert atmosphere

4.1: sodium tetrahydroborate / methanol / 0.5 h / 20 °C / Inert atmosphere

5.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

6.1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; water / 20 °C / 750.08 Torr

7.1: dmap; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 20 °C / Inert atmosphere

With dmap; manganese(IV) oxide; sodium tetrahydroborate; palladium 10% on activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane; water;
DOI:10.1039/c4ob00207e

Reference yield:

: 1020415-08-0
(4-((((benzyloxy)carbonyl)amino)methyl)phenyl)methanol

: 1608150-73-7
4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid

Guidance literature:: Multi-step reaction with 6 steps

1: manganese(IV) oxide / tetrahydrofuran / 20 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / methanol / 5 h / 20 °C / Inert atmosphere

3: sodium tetrahydroborate / methanol / 0.5 h / 20 °C / Inert atmosphere

4: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

5: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; water / 20 °C / 750.08 Torr

6: dmap; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 20 °C / Inert atmosphere

With dmap; manganese(IV) oxide; sodium tetrahydroborate; palladium 10% on activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane; water;
DOI:10.1039/c4ob00207e