N-[1-(3-benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-methyl-1-oxobutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide

Base Information

Chemical Name:N-[1-(3-benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-methyl-1-oxobutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
CAS No.:50868-53-6
Molecular Formula:C₃₅H₃₉N₅O₄
Molecular Weight:593.726
Hs Code.:

N-[1-(3-benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-methyl-1-oxobutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide

Synonyms:1',12'-Secoergotaman-3',6',12',18-tetrone,2'-deoxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (2'S,5'a,11'a)-; Ergocristam;N-(D-Lysergyl-L-valyl)-cyclo(L-phenylalanyl-D-prolyl);N-[N-(d-Lysergyl-L-valyl]-L-phenylalanyl-D-proline lactam; [8b[1S(3S,8aR)]]-9,10-Didehydro-N-[1-[[hexahydro-1,4-dioxo-3-(phenylmethyl)pyrrolo[1,2-a]pyrazin-2(1H)-yl]carbonyl]-2-methylpropyl]-6-methylergoline-8-carboxamide

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Chemical Property of N-[1-(3-benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-methyl-1-oxobutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide

Chemical Property:

Vapor Pressure:2.93E-31mmHg at 25°C
Boiling Point:876.9°C at 760 mmHg
Flash Point:484.1°C
PSA：109.31000
Density:1.35g/cm³
LogP:3.80350

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

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Technology Process of N-[1-(3-benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-methyl-1-oxobutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide

There total 63 articles about N-[1-(3-benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-methyl-1-oxobutan-2-yl]-6-methyl-9,10-didehydroergoline-8-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:

: 23631-72-3
N-carbobenzoxy-L-prolyl-L-phenylalanine methyl ester

: 50868-53-6,77519-64-3,78608-52-3,78608-53-4
(6aR,9S)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid [(S)-1-((S)-3-benzyl-1,4-dioxo-hexahydro-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-methyl-propyl]-amide

Guidance literature:: Multi-step reaction with 5 steps

1: H₂ / Pd / acetic acid

2: 110 °C

3: 1.) oxalyl chloride; 2.) N-methylmorpholine / 1.) CH₂Cl₂, -30 deg C, 15 min; 2.) -30 deg C, 30 min; RT, 12 h

4: 4N HCl/dioxane / 0.33 h

5: N-methylmorpholine, dicyclohexylcarbodiimide, HOBt / tetrahydrofuran; CH₂Cl₂ / 20 h / Ambient temperature

With 4-methyl-morpholine; hydrogenchloride; oxalyl dichloride; hydrogen; benzotriazol-1-ol; dicyclohexyl-carbodiimide; palladium; In tetrahydrofuran; dichloromethane; acetic acid;

Reference yield:

: 54793-80-5,135481-62-8,149673-09-6,149673-11-0
(S)-proline-(S)-phenylalanine methyl ester

: 50868-53-6,77519-64-3,78608-52-3,78608-53-4
(6aR,9S)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid [(S)-1-((S)-3-benzyl-1,4-dioxo-hexahydro-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-methyl-propyl]-amide

Guidance literature:: Multi-step reaction with 4 steps

1: 110 °C

2: 1.) oxalyl chloride; 2.) N-methylmorpholine / 1.) CH₂Cl₂, -30 deg C, 15 min; 2.) -30 deg C, 30 min; RT, 12 h

3: 4N HCl/dioxane / 0.33 h

4: N-methylmorpholine, dicyclohexylcarbodiimide, HOBt / tetrahydrofuran; CH₂Cl₂ / 20 h / Ambient temperature

With 4-methyl-morpholine; hydrogenchloride; oxalyl dichloride; benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;

Reference yield:

: 3705-26-8,5654-85-3,14705-60-3,26488-24-4,32021-26-4,43041-16-3,43041-30-1
L-Phenylalanyl-L-prolin-lactam

: 50868-53-6,77519-64-3,78608-52-3,78608-53-4
(6aR,9S)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid [(S)-1-((S)-3-benzyl-1,4-dioxo-hexahydro-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-methyl-propyl]-amide

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) oxalyl chloride; 2.) N-methylmorpholine / 1.) CH₂Cl₂, -30 deg C, 15 min; 2.) -30 deg C, 30 min; RT, 12 h

2: 4N HCl/dioxane / 0.33 h

3: N-methylmorpholine, dicyclohexylcarbodiimide, HOBt / tetrahydrofuran; CH₂Cl₂ / 20 h / Ambient temperature

With 4-methyl-morpholine; hydrogenchloride; oxalyl dichloride; benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;