tert-butyl 2-((4S,7S,10S,12aS,17R,17aS)-4-benzyl-17-((2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)carbamoyl)-10-isopropyl-3,6,9,12-tetraoxohexadecahydro-1H-azirino[1,2-a]pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclopentadecin-7-yl)acetate

Base Information

Chemical Name:tert-butyl 2-((4S,7S,10S,12aS,17R,17aS)-4-benzyl-17-((2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)carbamoyl)-10-isopropyl-3,6,9,12-tetraoxohexadecahydro-1H-azirino[1,2-a]pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclopentadecin-7-yl)acetate
CAS No.:1352831-60-7
Molecular Formula:C₄₇H₅₈N₈O₉
Molecular Weight:879.026
Hs Code.:

tert-butyl 2-((4S,7S,10S,12aS,17R,17aS)-4-benzyl-17-((2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)carbamoyl)-10-isopropyl-3,6,9,12-tetraoxohexadecahydro-1H-azirino[1,2-a]pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclopentadecin-7-yl)acetate

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Chemical Property of tert-butyl 2-((4S,7S,10S,12aS,17R,17aS)-4-benzyl-17-((2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)carbamoyl)-10-isopropyl-3,6,9,12-tetraoxohexadecahydro-1H-azirino[1,2-a]pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclopentadecin-7-yl)acetate

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Technology Process of tert-butyl 2-((4S,7S,10S,12aS,17R,17aS)-4-benzyl-17-((2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)carbamoyl)-10-isopropyl-3,6,9,12-tetraoxohexadecahydro-1H-azirino[1,2-a]pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclopentadecin-7-yl)acetate

There total 4 articles about tert-butyl 2-((4S,7S,10S,12aS,17R,17aS)-4-benzyl-17-((2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)carbamoyl)-10-isopropyl-3,6,9,12-tetraoxohexadecahydro-1H-azirino[1,2-a]pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclopentadecin-7-yl)acetate 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: 59.0%

: C₆H₁₀N₂O₂

: 1352831-40-3
2-(4-dimethylamino-1,8-naphthalimido)ethyl isocyanide

: C₂₇H₄₀N₄O₇

: 1352831-60-7
tert-butyl 2-((4S,7S,10S,12aS,17R,17aS)-4-benzyl-17-((2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)carbamoyl)-10-isopropyl-3,6,9,12-tetraoxohexadecahydro-1H-azirino[1,2-a]pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclopentadecin-7-yl)acetate

Guidance literature:: In 2,2,2-trifluoroethanol; at 20 ℃; optical yield given as %de;
DOI:10.1002/chem.201102096

Reference yield:

: 81-84-5
1,8-Naphthalic anhydride

: 1352831-60-7
tert-butyl 2-((4S,7S,10S,12aS,17R,17aS)-4-benzyl-17-((2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)carbamoyl)-10-isopropyl-3,6,9,12-tetraoxohexadecahydro-1H-azirino[1,2-a]pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclopentadecin-7-yl)acetate

Guidance literature:: Multi-step reaction with 4 steps

1.1: bromine; potassium hydroxide / water / 18 h / 0 - 60 °C

1.2: 20 °C / Reflux

2.1: ethanol / 0.5 h / Reflux

3.1: triethylamine; trichlorophosphate / dichloromethane / 20 °C / Cooling with ice

4.1: 2,2,2-trifluoroethanol / 20 °C

With bromine; triethylamine; potassium hydroxide; trichlorophosphate; In ethanol; dichloromethane; 2,2,2-trifluoroethanol; water;
DOI:10.1002/chem.201102096

Reference yield:

: 1352831-39-0
2-(4-dimethylamino-1,8-naphthalimido)ethylformamide

: 1352831-60-7
tert-butyl 2-((4S,7S,10S,12aS,17R,17aS)-4-benzyl-17-((2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)carbamoyl)-10-isopropyl-3,6,9,12-tetraoxohexadecahydro-1H-azirino[1,2-a]pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclopentadecin-7-yl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine; trichlorophosphate / dichloromethane / 20 °C / Cooling with ice

2: 2,2,2-trifluoroethanol / 20 °C

With triethylamine; trichlorophosphate; In dichloromethane; 2,2,2-trifluoroethanol;
DOI:10.1002/chem.201102096