1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide

Base Information

Chemical Name:1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide
CAS No.:1173056-33-1
Molecular Formula:C₄₅H₇₀N₈O₉
Molecular Weight:867.099
Hs Code.:

1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide

Synonyms:1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide

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Chemical Property of 1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide

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Technology Process of 1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide

There total 8 articles about 1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide 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: 96.0%

: 1173056-32-0
1-[(2S,5S,9R,15R,16S)-14-(4-{[4-(3-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-2-{bis[2-(tert-butoxy)-2-oxoethyl]amino}propyl)phenyl]carbamoyl}-butan-2-yl)-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide

: 1173056-33-1
1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; at 0 - 20 ℃;
DOI:10.1039/b823000e

Reference yield:

: 1016237-83-4
tert-butyl {4-[3-(4-amino-phenyl)-2-(tert-butoxycarbonylmethyl-amino)-propyl]-7-tert-butoxycarbonylmethyl-[1,4,7]triazonan-1-yl}-acetate

: 1173056-33-1
1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 48 h / Reflux

2: hydrogenchloride / 1,4-dioxane / 24 h / 0 - 20 °C

With hydrogenchloride; triethylamine; In 1,4-dioxane; dichloromethane;

Reference yield:

: tert-butyl {4-tert-butoxycarbonylmethyl-7-[2-(tert-butoxycarbonylmethyl-amino)-3-(4-nitro-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetate

: 1173056-33-1
1-[(2S,5R,9R,15R,16S)-14-{4-[(4-{3-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-[bis(carboxymethyl)amino]propyl}phenyl)carbamoyl]butan-2-yl}-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]triaz-2-yn-2-ium-1-ide

Guidance literature:: Multi-step reaction with 3 steps

1: palladium 10% on activated carbon; hydrogen / methanol / 14 h / 20 °C / 1034.32 Torr

2: triethylamine / dichloromethane / 48 h / Reflux

3: hydrogenchloride / 1,4-dioxane / 24 h / 0 - 20 °C

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; triethylamine; In 1,4-dioxane; methanol; dichloromethane;