N-(((2S,8R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-2-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

Base Information

Chemical Name:N-(((2S,8R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-2-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide
CAS No.:1403479-02-6
Molecular Formula:C₄₁H₅₂FN₅O₉S
Molecular Weight:809.956
Hs Code.:

N-(((2S,8R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-2-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

Synonyms:

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Chemical Property of N-(((2S,8R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-2-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

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Technology Process of N-(((2S,8R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-2-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

There total 11 articles about N-(((2S,8R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-2-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide 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:

: 1403479-89-9
(R)-methyl 3-((tert-butyldimethylsilyl)oxy)-4-(4-fluoro-N-methylphenylsulfonamido)butanoate

: 1403479-02-6
N-(((2S,8R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-2-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

Guidance literature:: Multi-step reaction with 9 steps

1: lithium hydroxide / tetrahydrofuran; water / 20 °C

2: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / dichloromethane / 18 h / 0 - 20 °C

3: dimethylsulfide borane complex / tetrahydrofuran / 3 h / 0 - 65 °C / Inert atmosphere

4: N-ethyl-N,N-diisopropylamine; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride / dichloromethane / 2 h / 20 °C

5: tetrabutyl ammonium fluoride / tetrahydrofuran / 1.5 h / 20 °C

6: sodium hydride / N,N-dimethyl-formamide / 1.5 h / 0 - 20 °C

7: Hoveyda-Grubbs catalyst second generation / toluene / 18 h / Inert atmosphere

8: hydrogen; palladium 10% on activated carbon / ethanol / 26 h

9: dichloromethane / 8 h

With Hoveyda-Grubbs catalyst second generation; dimethylsulfide borane complex; palladium 10% on activated carbon; tetrabutyl ammonium fluoride; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; hydrogen; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; sodium hydride; N-ethyl-N,N-diisopropylamine; lithium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm500994n

Reference yield:

: 1403479-90-2
(R)-methyl 3-((tertbutyldimethylsilyl)oxy)-4-(4-fluorophenylsulfonamido)butanoate

: 1403479-02-6
N-(((2S,8R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-2-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

Guidance literature:: Multi-step reaction with 10 steps

1: caesium carbonate / N,N-dimethyl-formamide / 20 °C

2: lithium hydroxide / tetrahydrofuran; water / 20 °C

3: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / dichloromethane / 18 h / 0 - 20 °C

4: dimethylsulfide borane complex / tetrahydrofuran / 3 h / 0 - 65 °C / Inert atmosphere

5: N-ethyl-N,N-diisopropylamine; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride / dichloromethane / 2 h / 20 °C

6: tetrabutyl ammonium fluoride / tetrahydrofuran / 1.5 h / 20 °C

7: sodium hydride / N,N-dimethyl-formamide / 1.5 h / 0 - 20 °C

8: Hoveyda-Grubbs catalyst second generation / toluene / 18 h / Inert atmosphere

9: hydrogen; palladium 10% on activated carbon / ethanol / 26 h

10: dichloromethane / 8 h

With Hoveyda-Grubbs catalyst second generation; dimethylsulfide borane complex; palladium 10% on activated carbon; tetrabutyl ammonium fluoride; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; hydrogen; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; sodium hydride; caesium carbonate; N-ethyl-N,N-diisopropylamine; lithium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm500994n

Reference yield:

: 1403479-91-3
(R)-3-((tert-butyldimethylsilyl)oxy)-4-(4-fluoro-N-methylphenylsulfonamido)butanoic acid

: 1403479-02-6
N-(((2S,8R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-2-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

Guidance literature:: Multi-step reaction with 8 steps

1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / dichloromethane / 18 h / 0 - 20 °C

2: dimethylsulfide borane complex / tetrahydrofuran / 3 h / 0 - 65 °C / Inert atmosphere

3: N-ethyl-N,N-diisopropylamine; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride / dichloromethane / 2 h / 20 °C

4: tetrabutyl ammonium fluoride / tetrahydrofuran / 1.5 h / 20 °C

5: sodium hydride / N,N-dimethyl-formamide / 1.5 h / 0 - 20 °C

6: Hoveyda-Grubbs catalyst second generation / toluene / 18 h / Inert atmosphere

7: hydrogen; palladium 10% on activated carbon / ethanol / 26 h

8: dichloromethane / 8 h

With Hoveyda-Grubbs catalyst second generation; dimethylsulfide borane complex; palladium 10% on activated carbon; tetrabutyl ammonium fluoride; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; hydrogen; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; sodium hydride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm500994n