(1S,4S,7S,9aR,14S,14aR)-7-benzyl-N-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-isobutyl-4-methyl-3,6,9-trioxotetradecahydroazirino[1,2-a]pyrrolo[1,2-d][1,4,7,10]tetraazacyclododecine-14-carboxamide

Base Information

Chemical Name:(1S,4S,7S,9aR,14S,14aR)-7-benzyl-N-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-isobutyl-4-methyl-3,6,9-trioxotetradecahydroazirino[1,2-a]pyrrolo[1,2-d][1,4,7,10]tetraazacyclododecine-14-carboxamide
CAS No.:1352831-57-2
Molecular Formula:C₄₁H₄₉N₇O₆
Molecular Weight:735.883
Hs Code.:

(1S,4S,7S,9aR,14S,14aR)-7-benzyl-N-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-isobutyl-4-methyl-3,6,9-trioxotetradecahydroazirino[1,2-a]pyrrolo[1,2-d][1,4,7,10]tetraazacyclododecine-14-carboxamide

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Chemical Property of (1S,4S,7S,9aR,14S,14aR)-7-benzyl-N-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-isobutyl-4-methyl-3,6,9-trioxotetradecahydroazirino[1,2-a]pyrrolo[1,2-d][1,4,7,10]tetraazacyclododecine-14-carboxamide

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Technology Process of (1S,4S,7S,9aR,14S,14aR)-7-benzyl-N-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-isobutyl-4-methyl-3,6,9-trioxotetradecahydroazirino[1,2-a]pyrrolo[1,2-d][1,4,7,10]tetraazacyclododecine-14-carboxamide

There total 4 articles about (1S,4S,7S,9aR,14S,14aR)-7-benzyl-N-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-isobutyl-4-methyl-3,6,9-trioxotetradecahydroazirino[1,2-a]pyrrolo[1,2-d][1,4,7,10]tetraazacyclododecine-14-carboxamide 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: 68.0%

: C₁₄H₂₆N₂O₂

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

: 1352831-76-5
C₁₇H₂₃N₃O₄

: 1352831-57-2
(1S,4S,7S,9aR,14S,14aR)-7-benzyl-N-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-isobutyl-4-methyl-3,6,9-trioxotetradecahydroazirino[1,2-a]pyrrolo[1,2-d][1,4,7,10]tetraazacyclododecine-14-carboxamide

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

: 1352831-57-2
(1S,4S,7S,9aR,14S,14aR)-7-benzyl-N-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-isobutyl-4-methyl-3,6,9-trioxotetradecahydroazirino[1,2-a]pyrrolo[1,2-d][1,4,7,10]tetraazacyclododecine-14-carboxamide

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

: 1352831-57-2
(1S,4S,7S,9aR,14S,14aR)-7-benzyl-N-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-isobutyl-4-methyl-3,6,9-trioxotetradecahydroazirino[1,2-a]pyrrolo[1,2-d][1,4,7,10]tetraazacyclododecine-14-carboxamide

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