D-Alanine, N-[(2R)-2-[[[6-[(5-chloro-2-methoxyphenyl)methyl]hexahydro-3,7-dioxo-1 H-1,4-diazepin-1-yl]carbonyl]amino]-1-oxobutyl]-

Base Information

• Chemical Name: D-Alanine, N-[(2R)-2-[[[6-[(5-chloro-2-methoxyphenyl)methyl]hexahydro-3,7-dioxo-1 H-1,4-diazepin-1-yl]carbonyl]amino]-1-oxobutyl]-
• CAS No.: 889854-80-2
• Molecular Formula: C21H27ClN4O7
• Molecular Weight: 482.921
• Mol file: 889854-80-2.mol

Synonyms:

Chemical Property of D-Alanine, N-[(2R)-2-[[[6-[(5-chloro-2-methoxyphenyl)methyl]hexahydro-3,7-dioxo-1 H-1,4-diazepin-1-yl]carbonyl]amino]-1-oxobutyl]-

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of D-Alanine, N-[(2R)-2-[[[6-[(5-chloro-2-methoxyphenyl)methyl]hexahydro-3,7-dioxo-1 H-1,4-diazepin-1-yl]carbonyl]amino]-1-oxobutyl]-

There total 18 articles about D-Alanine, N-[(2R)-2-[[[6-[(5-chloro-2-methoxyphenyl)methyl]hexahydro-3,7-dioxo-1 H-1,4-diazepin-1-yl]carbonyl]amino]-1-oxobutyl]- 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:

C25H35ClN4O7 → (2R)-2-{[(2R)-2-({[6-(5-chloro-2-methoxybenzyl)-3,7-dioxo-1,4-diazepan-1-yl]carbonyl}amino)butanoyl] amino}propanoic acid (889854-80-2)

Guidance literature:

With hydrogenchloride; acetic acid; at 20 ℃; for 5h;

DOI:10.1016/j.bmc.2013.04.079

Reference yield:

[((2E)-3-(5-chloro-2-methoxyphenyl)-2-{[(2,4,6-trimethoxybenzyl)amino]methyl}-2-propenyl)amino]ethyl acetate hydrochloride (889857-35-6) → (2R)-2-{[(2R)-2-({[6-(5-chloro-2-methoxybenzyl)-3,7-dioxo-1,4-diazepan-1-yl]carbonyl}amino)butanoyl] amino}propanoic acid (889854-80-2)

Guidance literature:

Multi-step reaction with 8 steps

1.1: sodium hydroxide; water / methanol / 2 h / 20 °C

2.1: triethylamine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 2 h / 20 °C

3.1: 2 % platinum on carbon; hydrogen / tetrahydrofuran / 60 h / 20 °C

4.1: n-butyllithium / tetrahydrofuran; hexane / 0.33 h / -78 °C

4.2: 0.33 h / -78 °C

5.1: triethylamine / N,N-dimethyl-formamide / 3 h / 0 °C

6.1: trifluoroacetic acid / dichloromethane / 7.5 h / 0 - 20 °C

7.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / dichloromethane; ethyl acetate / 3 h / 20 °C

8.1: hydrogenchloride; acetic acid / 5 h / 20 °C

With hydrogenchloride; n-butyllithium; 2 % platinum on carbon; water; hydrogen; benzotriazol-1-ol; acetic acid; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; sodium hydroxide; In tetrahydrofuran; methanol; hexane; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2013.04.079

Reference yield:

C23H27ClN2O7*ClH (889857-36-7) → (2R)-2-{[(2R)-2-({[6-(5-chloro-2-methoxybenzyl)-3,7-dioxo-1,4-diazepan-1-yl]carbonyl}amino)butanoyl] amino}propanoic acid (889854-80-2)

Guidance literature:

Multi-step reaction with 7 steps

1.1: triethylamine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 2 h / 20 °C

2.1: 2 % platinum on carbon; hydrogen / tetrahydrofuran / 60 h / 20 °C

3.1: n-butyllithium / tetrahydrofuran; hexane / 0.33 h / -78 °C

3.2: 0.33 h / -78 °C

4.1: triethylamine / N,N-dimethyl-formamide / 3 h / 0 °C

5.1: trifluoroacetic acid / dichloromethane / 7.5 h / 0 - 20 °C

6.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / dichloromethane; ethyl acetate / 3 h / 20 °C

7.1: hydrogenchloride; acetic acid / 5 h / 20 °C

With hydrogenchloride; n-butyllithium; 2 % platinum on carbon; hydrogen; benzotriazol-1-ol; acetic acid; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; In tetrahydrofuran; hexane; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2013.04.079

upstream raw materials:

[((2E)-3-(5-chloro-2-methoxyphenyl)-2-{[(2,4,6-trimethoxybenzyl)amino]methyl}-2-propenyl)amino]ethyl acetate hydrochloride

C₂₃H₂₇ClN₂O₇*ClH

(6E)-6-(5-chloro-2-methoxybenzylidene)-1-(2,4,6-trimethoxybenzyl)-1,4-diazepan-2,5-dione

6-(5-chloro-2-methoxybenzyl)-1-(2,4,6-trimethoxybenzyl)-1,4-diazepan-2,5-dione