toluene-4-sulfonic acid (S)-2-hydroxy-2-[(E)-(S)-16-(methanesulfonyl-methyl-amino)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1⁽¹⁸⁾,8,14,16-tetraen-4-yl]-ethyl ester

Base Information

• Chemical Name: toluene-4-sulfonic acid (S)-2-hydroxy-2-[(E)-(S)-16-(methanesulfonyl-methyl-amino)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1⁽¹⁸⁾,8,14,16-tetraen-4-yl]-ethyl ester
• CAS No.: 1385069-01-1
• Molecular Formula: C₂₆H₃₃N₃O₉S₂
• Molecular Weight: 595.695

Synonyms:toluene-4-sulfonic acid (S)-2-hydroxy-2-[(E)-(S)-16-(methanesulfonyl-methyl-amino)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1⁽¹⁸⁾,8,14,16-tetraen-4-yl]-ethyl ester

Chemical Property of toluene-4-sulfonic acid (S)-2-hydroxy-2-[(E)-(S)-16-(methanesulfonyl-methyl-amino)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1⁽¹⁸⁾,8,14,16-tetraen-4-yl]-ethyl ester

Chemical Property:

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Technology Process of toluene-4-sulfonic acid (S)-2-hydroxy-2-[(E)-(S)-16-(methanesulfonyl-methyl-amino)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1⁽¹⁸⁾,8,14,16-tetraen-4-yl]-ethyl ester

There total 5 articles about toluene-4-sulfonic acid (S)-2-hydroxy-2-[(E)-(S)-16-(methanesulfonyl-methyl-amino)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1⁽¹⁸⁾,8,14,16-tetraen-4-yl]-ethyl ester 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: 64.0%

N-[(E)-(S)-4-((S)-1,2-dihydroxy-ethyl)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]-octadeca-1(18),8,14,16-tetraen-16-yl]-N-methyl-methanesulfonamide (1385068-98-3) + p-toluenesulfonyl chloride (98-59-9) → toluene-4-sulfonic acid (S)-2-hydroxy-2-[(E)-(S)-16-(methanesulfonyl-methyl-amino)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-4-yl]-ethyl ester (1385069-01-1)

Guidance literature:

With di(n-butyl)tin oxide; triethylamine; In dichloromethane; at 20 ℃; for 23h;

DOI:10.1016/j.bmc.2012.05.039

Reference yield:

(S)-2-(allyloxy)-1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine (1385068-39-2) → toluene-4-sulfonic acid (S)-2-hydroxy-2-[(E)-(S)-16-(methanesulfonyl-methyl-amino)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-4-yl]-ethyl ester (1385069-01-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: lithium hydroxide / 1,4-dioxane; water / 1.17 h / 20 °C

1.2: 16 h / 20 °C

2.1: acetic acid / water / 1.75 h / 60 °C

3.1: Hoveyda-Grubbs catalyst second generation / dichloromethane / Inert atmosphere; Reflux

4.1: di(n-butyl)tin oxide; triethylamine / dichloromethane / 23 h / 20 °C

With Hoveyda-Grubbs catalyst second generation; di(n-butyl)tin oxide; acetic acid; triethylamine; lithium hydroxide; In 1,4-dioxane; dichloromethane; water;

DOI:10.1016/j.bmc.2012.05.039

Reference yield:

methyl 3-(but-3-en-1-ylcarbamoyl)-5-(n-methylmethyl-sulfonamido)benzoate (1385068-88-1) → toluene-4-sulfonic acid (S)-2-hydroxy-2-[(E)-(S)-16-(methanesulfonyl-methyl-amino)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-4-yl]-ethyl ester (1385069-01-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: lithium hydroxide / 1,4-dioxane; water / 1.17 h / 20 °C

1.2: 16 h / 20 °C

2.1: acetic acid / water / 1.75 h / 60 °C

3.1: Hoveyda-Grubbs catalyst second generation / dichloromethane / Inert atmosphere; Reflux

4.1: di(n-butyl)tin oxide; triethylamine / dichloromethane / 23 h / 20 °C

With Hoveyda-Grubbs catalyst second generation; di(n-butyl)tin oxide; acetic acid; triethylamine; lithium hydroxide; In 1,4-dioxane; dichloromethane; water;

DOI:10.1016/j.bmc.2012.05.039

upstream raw materials:

(S)-2-(allyloxy)-1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine

methyl 3-(but-3-en-1-ylcarbamoyl)-5-(n-methylmethyl-sulfonamido)benzoate

N₁-((S)-2-allyloxy-1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-ethyl)-N₃-but-3-enyl-5-(methanesulfonyl-methyl-amino)-isophthalamide

N₁-((2S,3S)-1-(allyloxy)-3,4-dihydroxybutan-2-yl)-N₃-(but-3-en-1-yl)-5-(N-methylmethylsulfonamido)isophthalamide

Downstream raw materials:

N-((E)-(S)-4-[(R)-2-(3-tert-butyl-benzylamino)-1-hydroxy-ethyl]-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1⁽¹⁷⁾,8,14⁽¹⁸⁾,15-tetraen-16-yl)-N-methyl-methanesulfonamide

N-((E)-(S)-4-[(R)-1-hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1⁽¹⁸⁾,8,14,16-tetraen-16-yl)-N-methyl-methanesulfonamide

N-[(E)-(S)-4-((R)-2-benzylamino-1-hydroxy-ethyl)-2,13-dioxo-6-oxa-3,12-diaza-bicyclo[12.3.1]octadeca-1⁽¹⁷⁾,8,14⁽¹⁸⁾,15-tetraen-16-yl]-N-methyl-methanesulfonamide

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