(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic acid

Base Information

Chemical Name:(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic acid
CAS No.:1159097-48-9
Molecular Formula:C₆H₆O₃S*C₃₀H₃₈N₄O₄
Molecular Weight:676.834
Hs Code.:
Mol file:1159097-48-9.mol

(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic acid

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic acid

Chemical Property:

Purity/Quality:: 99% ^*data from raw suppliers

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Technology Process of (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic acid

There total 8 articles about (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic 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: 92.6%

: Epelsiban

: 98-11-3
benzenesulfonic acid

: 1159097-48-9
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic acid

Guidance literature:: In acetone; for 48h; Heating;
DOI:10.1021/jm201287w

Reference yield:

: 554448-74-7
(2R)-2,3-dihydro-1H-inden-2-yl({[(phenylmethyl)oxy]carbonyl}amino)ethanoic acid

: 1159097-48-9
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: triethylamine / methanol; 2,2,2-trifluoroethanol / 20 h / 20 °C / Inert atmosphere

1.2: 96 h / 20 °C / Inert atmosphere

2.1: palladium on activated charcoal; hydrogen / ethanol; water; acetic acid / 18 h / 760.05 Torr

3.1: 1,1'-carbonyldiimidazole / dichloromethane / 16 h / 20 °C

3.2: 16 h / 20 °C

4.1: acetone / 48 h / Heating

With palladium on activated charcoal; hydrogen; triethylamine; 1,1'-carbonyldiimidazole; In methanol; ethanol; dichloromethane; 2,2,2-trifluoroethanol; water; acetic acid; acetone; 1.1: Ugi condensation / 1.2: Ugi condensation;
DOI:10.1021/jm201287w

Reference yield:

: 4-phenyl-3,4,6a,11,11a,11b-hexahydro-1H-indeno[2,1:4,5]isoxazolo[3,2-c][1,4]oxazin-1-one

: 1159097-48-9
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic acid

Guidance literature:: Multi-step reaction with 6 steps

1.1: 20 % Pd(OH)2/C; hydrogen / 1,4-dioxane; trifluoroacetic acid / 55 °C / 3102.97 Torr

2.1: triethylamine / 1,4-dioxane; water / 48 h / 20 °C

3.1: triethylamine / methanol; 2,2,2-trifluoroethanol / 20 h / 20 °C / Inert atmosphere

3.2: 96 h / 20 °C / Inert atmosphere

4.1: palladium on activated charcoal; hydrogen / ethanol; water; acetic acid / 18 h / 760.05 Torr

5.1: 1,1'-carbonyldiimidazole / dichloromethane / 16 h / 20 °C

5.2: 16 h / 20 °C

6.1: acetone / 48 h / Heating

With palladium on activated charcoal; 20 % Pd(OH)2/C; hydrogen; triethylamine; 1,1'-carbonyldiimidazole; In 1,4-dioxane; methanol; ethanol; dichloromethane; 2,2,2-trifluoroethanol; water; acetic acid; acetone; trifluoroacetic acid; 3.1: Ugi condensation / 3.2: Ugi condensation;
DOI:10.1021/jm201287w