N-(((6R,7R)-12-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

Base Information

Chemical Name:N-(((6R,7R)-12-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide
CAS No.:1403478-68-1
Molecular Formula:C₃₉H₄₈FN₅O₉S
Molecular Weight:781.903
Hs Code.:

N-(((6R,7R)-12-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

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Chemical Property of N-(((6R,7R)-12-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

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Technology Process of N-(((6R,7R)-12-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

There total 16 articles about N-(((6R,7R)-12-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-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: 39.0%

: N-(((6R,7R)-12-amino-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

: 131825-41-7
3,5-dimethylisoxazol4-yl isocyanate

: 1403478-68-1
N-(((6R,7R)-12-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

Guidance literature:: In dichloromethane; at 20 ℃; for 16h;
DOI:10.1021/jm500994n

Reference yield:

: 1403480-08-9
tert-butyl ((2R,3R)-3-((tert-butyldimethylsilyl)oxy)-4-(4-fluoro-N methylphenylsulfonamido)-2-methylbutyl)((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)carbamate

: 1403478-68-1
N-(((6R,7R)-12-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

Guidance literature:: Multi-step reaction with 9 steps

1: tetrabutyl ammonium fluoride / tetrahydrofuran / 18 h / 20 °C / Inert atmosphere

2: caesium carbonate / tert-butyl alcohol / 48 h / 20 °C / Inert atmosphere

3: diisobutylaluminium hydride / toluene / 2.5 h / -78 °C

4: tetrabutyl ammonium fluoride / tetrahydrofuran / 40 h / Molecular sieve; Inert atmosphere

5: 2,6-dimethylpyridine / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

6: pyridine hydrogenfluoride / tetrahydrofuran / 1.5 h

7: N-ethyl-N,N-diisopropylamine; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride / dichloromethane / 3 h / 0 - 20 °C

8: tin(II) chloride dihdyrate / methanol / 20 h / 50 °C

9: dichloromethane / 16 h / 20 °C

With 2,6-dimethylpyridine; tin(II) chloride dihdyrate; tetrabutyl ammonium fluoride; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; diisobutylaluminium hydride; caesium carbonate; pyridine hydrogenfluoride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane; toluene; tert-butyl alcohol;
DOI:10.1021/jm500994n

Reference yield:

: tert-butyl ((2R,3R)-4-(4-fluoro-N-methylphenylsulfonamido)-3-(3-hydroxypropoxy)-2-methylbutyl)((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)carbamate

: 1403478-68-1
N-(((6R,7R)-12-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-((2S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7-methyl-10-oxo-2,3,4,6,7,8,9,10-octahydrobenzo[f][1,5,9]dioxaazacyclododecin-6-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide

Guidance literature:: Multi-step reaction with 6 steps

1: tetrabutyl ammonium fluoride / tetrahydrofuran / 40 h / Molecular sieve; Inert atmosphere

2: 2,6-dimethylpyridine / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

3: pyridine hydrogenfluoride / tetrahydrofuran / 1.5 h

4: N-ethyl-N,N-diisopropylamine; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride / dichloromethane / 3 h / 0 - 20 °C

5: tin(II) chloride dihdyrate / methanol / 20 h / 50 °C

6: dichloromethane / 16 h / 20 °C

With 2,6-dimethylpyridine; tin(II) chloride dihdyrate; tetrabutyl ammonium fluoride; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; pyridine hydrogenfluoride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/jm500994n