methyl (6S,9S,12S)-6-(((benzyloxy)carbonyl)amino)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14⁽¹⁷⁾,15-diene-12-carboxylate

Base Information

• Chemical Name: methyl (6S,9S,12S)-6-(((benzyloxy)carbonyl)amino)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14⁽¹⁷⁾,15-diene-12-carboxylate
• CAS No.: 1417159-45-5
• Molecular Formula: C₂₆H₃₆N₆O₆
• Molecular Weight: 528.608

Synonyms:methyl (6S,9S,12S)-6-(((benzyloxy)carbonyl)amino)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14⁽¹⁷⁾,15-diene-12-carboxylate

Chemical Property of methyl (6S,9S,12S)-6-(((benzyloxy)carbonyl)amino)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14⁽¹⁷⁾,15-diene-12-carboxylate

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Technology Process of methyl (6S,9S,12S)-6-(((benzyloxy)carbonyl)amino)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14⁽¹⁷⁾,15-diene-12-carboxylate

There total 3 articles about methyl (6S,9S,12S)-6-(((benzyloxy)carbonyl)amino)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14⁽¹⁷⁾,15-diene-12-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: 72.0%

methyl (5S,8S,11S)-5-(4-azidobutyl)-8-isobutyl-3,6,9-trioxo-1-phenyl-11-(prop-2-yn-1-yl)-2-oxa-4,7,10-triazadodecan-12-oate (1417159-42-2) → methyl (6S,9S,12S)-6-(((benzyloxy)carbonyl)amino)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14(17),15-diene-12-carboxylate (1417159-45-5)

Guidance literature:

methyl (5S,8S,11S)-5-(4-azidobutyl)-8-isobutyl-3,6,9-trioxo-1-phenyl-11-(prop-2-yn-1-yl)-2-oxa-4,7,10-triazadodecan-12-oate; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 0.25h; Inert atmosphere;

With copper(I) bromide; In dichloromethane; for 7h; Inert atmosphere;

DOI:10.1039/c2ob26637g

Reference yield:

(S)-2-((S)-6-azido-2-(((benzyloxy)carbonyl)amino)hexanamido)-4-methylpentanoic acid (1359969-70-2) → methyl (6S,9S,12S)-6-(((benzyloxy)carbonyl)amino)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14(17),15-diene-12-carboxylate (1417159-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C / Inert atmosphere

2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 0.25 h / 20 °C / Inert atmosphere

2.2: 7 h / Inert atmosphere

With benzotriazol-1-ol; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1039/c2ob26637g

Reference yield:

(S)-propargylglycine methyl ester (101925-55-7) → methyl (6S,9S,12S)-6-(((benzyloxy)carbonyl)amino)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14(17),15-diene-12-carboxylate (1417159-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C / Inert atmosphere

2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 0.25 h / 20 °C / Inert atmosphere

2.2: 7 h / Inert atmosphere

With benzotriazol-1-ol; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1039/c2ob26637g

upstream raw materials:

(S)-2-((S)-6-azido-2-(((benzyloxy)carbonyl)amino)hexanamido)-4-methylpentanoic acid

(S)-propargylglycine methyl ester

methyl (5S,8S,11S)-5-(4-azidobutyl)-8-isobutyl-3,6,9-trioxo-1-phenyl-11-(prop-2-yn-1-yl)-2-oxa-4,7,10-triazadodecan-12-oate

Downstream raw materials:

benzyl ((6S,9S,12S)-12-(hydroxymethyl)-9-isobutyl-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14⁽¹⁷⁾,15-dien-6-yl)carbamate

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