(E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

Base Information

Chemical Name:(E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester
CAS No.:868407-55-0
Molecular Formula:C₃₁H₃₉ClFN₅O₄
Molecular Weight:600.133
Hs Code.:

(E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

Synonyms:(E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

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Chemical Property of (E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

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Technology Process of (E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

There total 9 articles about (E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester 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: 64.0%

: 868407-52-7
(E)-9-[3-(2-amino-4-chlorophenyl)-acryloyl]-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

: 124-40-3
dimethyl amine

: 79-04-9
chloroacetyl chloride

: 868407-55-0
(E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

Guidance literature:: (E)-9-[3-(2-amino-4-chlorophenyl)-acryloyl]-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester; chloroacetyl chloride; In tetrahydrofuran; at 20 ℃; for 0.25h;

dimethyl amine; In tetrahydrofuran; at 20 ℃; for 0.333333h;

Reference yield:

: 864448-29-3
3,9-dibenzyl-7-(phenylsulfonyl)-3,7,9-triazabicyclo[3.3.1]nonane

: 868407-55-0
(E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 7 steps

1.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene; xylene / 1 h / Heating / reflux

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

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

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

5.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 2 h / 20 °C

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

7.1: tetrahydrofuran / 0.25 h / 20 °C

7.2: 0.33 h / 20 °C

With sodium hydroxide; ethanol; water; hydrogen; sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium bis(2-methoxyethoxy)aluminium dihydride; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; dichloromethane; tert-butyl methyl ether; toluene; xylene;

Reference yield:

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

: 868407-55-0
(E)-9-{3-[4-chloro-2-(2-dimethylaminoacetylamino)-phenyl]-acryloyl}-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 6 steps

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

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

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

4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 2 h / 20 °C

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

6.1: tetrahydrofuran / 0.25 h / 20 °C

6.2: 0.33 h / 20 °C

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