(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

Base Information

Chemical Name:(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
CAS No.:1608150-79-3
Molecular Formula:C₃₀H₄₄N₄O₇
Molecular Weight:572.702
Hs Code.:

(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

Synonyms:(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

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Chemical Property of (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

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Technology Process of (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

There total 10 articles about (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 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: 95.0%

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

: 98-88-4
benzoyl chloride

: 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

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; for 5.5h; Inert atmosphere;
DOI:10.1016/j.bmcl.2016.08.065

Reference yield:

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

: 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

Guidance literature:: Multi-step reaction with 6 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

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

Reference yield:

: 1412423-66-5
(3S,6S,7R,9aS)-methyl 6-((tert-butoxycarbonyl)amino)-7-(cyanomethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxylate

: 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

Guidance literature:: Multi-step reaction with 4 steps

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

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

2.2: 22 h / 20 °C / Inert atmosphere

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

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

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