methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate

Base Information

Chemical Name:methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate
CAS No.:879688-89-8
Molecular Formula:C₂₃H₃₇N₅O₄
Molecular Weight:447.578
Hs Code.:

Synonyms:methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate

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Chemical Property of methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate

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Technology Process of methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate

There total 1 articles about methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate 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: 63.0%

: 130707-80-1
d,l-2-bromo-4-(4-nitrophenyl)butanoic acid methyl ester

: 130701-19-8
1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

: 879688-89-8
methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate

Guidance literature:: With sodium carbonate; In acetonitrile; for 18h; Reflux;

Reference yield: 75.0%

: 879688-89-8
methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate

: 105-36-2
ethyl bromoacetate

: methyl 2-(11-(2-ethoxy-2-oxoethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate

Guidance literature:: methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate; With potassium carbonate; In acetonitrile; at -20 ℃; for 0.5h;

ethyl bromoacetate; In acetonitrile; at -20 - 40 ℃; for 36h;

Reference yield:

: 879688-89-8
methyl 2-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-nitrophenyl)butanoate

: 2-(11-(carboxymethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecan-4-yl)-4-(4-isothiocyanatophenyl)butanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: potassium carbonate / acetonitrile / 0.5 h / -20 °C

1.2: 36 h / -20 - 40 °C

2.1: sodium hydroxide; water / ethanol / 12 h / 80 °C / pH 6

2.2: 20 °C / pH 7.2

3.1: hydrogen / palladium 10% on activated carbon / water / 2 h / 1551.49 Torr

4.1: chloroform; water / 1 h

With water; hydrogen; potassium carbonate; sodium hydroxide; palladium 10% on activated carbon; In ethanol; chloroform; water; acetonitrile;