(3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid

Base Information

Chemical Name:(3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid
CAS No.:1608150-75-9
Molecular Formula:C₂₉H₄₂N₄O₇
Molecular Weight:558.675
Hs Code.:

(3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid

Synonyms:(3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid

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Chemical Property of (3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid

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Technology Process of (3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid

There total 12 articles about (3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid 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: 99.0%

: 1608150-79-3
(3S,6S,7R,9aS)-methyl 7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxylate

: 1608150-75-9
(3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; water; at 0 ℃; for 4h;
DOI:10.1016/j.bmcl.2016.08.065

Reference yield:

: 1099616-09-7
C₁₉H₂₄N₂O₄

: 1608150-75-9
(3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 9 steps

1.1: ammonium formate; 10 wt% Pd(OH)2 on carbon; acetic acid / tetrahydrofuran; water / 24 h / 20 - 70 °C

2.1: triethylamine / dichloromethane / 20 h / 20 °C / Inert atmosphere

3.1: triethylamine / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

4.1: N,N-dimethyl-formamide / 2 h / 80 °C / Microwave irradiation

5.1: acetyl chloride; methanol / 0.08 h / 20 °C / Inert atmosphere

6.1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 0.17 h / Inert atmosphere

6.2: 22 h / 20 °C / Inert atmosphere

7.1: hydrogen; citric acid / water; ethanol / 29 h / 60 °C / 45004.5 Torr / Flow reactor

8.1: triethylamine / dichloromethane / 5 h / 20 °C / Inert atmosphere

9.1: lithium hydroxide; water / tetrahydrofuran / 5.5 h / 0 - 20 °C

With methanol; 10 wt% Pd(OH)2 on carbon; water; hydrogen; ammonium formate; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; acetyl chloride; citric acid; lithium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1039/c4ob00207e

Reference yield:

: (3S,6S,7S,9aS)-methyl 6-(tert-butoxycarbonylamino)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxylate

: 1608150-75-9
(3S,6S,7R,9aS)-7-(2-benzamidoethyl)-6-((R)-2-((tert-butoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo-[1,2-a]azepine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 7 steps

1.1: triethylamine / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

2.1: N,N-dimethyl-formamide / 2 h / 80 °C / Microwave irradiation

3.1: acetyl chloride; methanol / 0.08 h / 20 °C / Inert atmosphere

4.1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 0.17 h / Inert atmosphere

4.2: 22 h / 20 °C / Inert atmosphere

5.1: hydrogen; citric acid / water; ethanol / 29 h / 60 °C / 45004.5 Torr / Flow reactor

6.1: triethylamine / dichloromethane / 5 h / 20 °C / Inert atmosphere

7.1: lithium hydroxide; water / tetrahydrofuran / 5.5 h / 0 - 20 °C

With methanol; water; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; acetyl chloride; citric acid; lithium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1039/c4ob00207e