(E)-N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-phenyl)methanesulfonamide

Base Information

Chemical Name:(E)-N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-phenyl)methanesulfonamide
CAS No.:868407-56-1
Molecular Formula:C₂₃H₂₆ClFN₄O₃S
Molecular Weight:493.002
Hs Code.:

Synonyms:(E)-N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-phenyl)methanesulfonamide

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Chemical Property of (E)-N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-phenyl)methanesulfonamide

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Technology Process of (E)-N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-phenyl)methanesulfonamide

There total 9 articles about (E)-N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-phenyl)methanesulfonamide 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: 58.0%

: 868407-57-2
(E)-9-[3-(4-chloro-2-methanesulfonylamino-phenyl)-acryloyl]-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

: 868407-56-1
(E)-N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-phenyl)methanesulfonamide

Guidance literature:: (E)-9-[3-(4-chloro-2-methanesulfonylamino-phenyl)-acryloyl]-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.166667h;

With sodium hydroxide; sodium carbonate; In dichloromethane; water;

Reference yield:

: 864448-31-7
3,9-dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane

: 868407-56-1
(E)-N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-phenyl)methanesulfonamide

Guidance literature:: Multi-step reaction with 7 steps

1: tert-butyl methyl ether / 0.17 h / 20 °C

2: hydrogen / palladium 10% on activated carbon / ethanol / 4 h / 20 °C / 760.05 Torr

3: sodium hydrogencarbonate / ethanol / 2 h / Heating / reflux

4: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 2 h / 20 °C

5: sodium hydroxide; ethanol; water / 1.5 h / Heating / reflux

6: triethylamine / tetrahydrofuran / 0.33 h / 20 °C

7: trifluoroacetic acid / dichloromethane / 0.17 h / 20 °C

With sodium hydroxide; ethanol; water; hydrogen; sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; dichloromethane; tert-butyl methyl ether;

Reference yield:

: 868407-40-3
7,9-dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

: 868407-56-1
(E)-N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-phenyl)methanesulfonamide

Guidance literature:: Multi-step reaction with 6 steps

1: hydrogen / palladium 10% on activated carbon / ethanol / 4 h / 20 °C / 760.05 Torr

2: sodium hydrogencarbonate / ethanol / 2 h / Heating / reflux

3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 2 h / 20 °C

4: sodium hydroxide; ethanol; water / 1.5 h / Heating / reflux

5: triethylamine / tetrahydrofuran / 0.33 h / 20 °C

6: trifluoroacetic acid / dichloromethane / 0.17 h / 20 °C

With sodium hydroxide; ethanol; water; hydrogen; sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; dichloromethane;