(S)-2-((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate

Base Information

Chemical Name:(S)-2-((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate
CAS No.:1403481-75-3
Molecular Formula:C₄₁H₅₀FN₅O₉S
Molecular Weight:807.941
Hs Code.:

(S)-2-((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate

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Chemical Property of (S)-2-((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate

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Technology Process of (S)-2-((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate

There total 4 articles about (S)-2-((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate 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:

: C₃₅H₄₄FN₃O₇S

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

: 1403481-75-3
(S)-2-((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate

Guidance literature:: In N,N-dimethyl-formamide; for 2h;

Reference yield:

: 98-88-4
benzoyl chloride

: 1403481-75-3
(S)-2-((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate

Guidance literature:: Multi-step reaction with 5 steps

1: pyridine / dichloromethane / 4 h / 20 °C / Inert atmosphere

2: 1,3-dimethylbarbituric acid / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / dichloromethane / 1 h / 20 °C / Inert atmosphere

3: 2,6-dimethylpyridine / dichloromethane / 15 h / 20 °C / Inert atmosphere

4: piperidine / N,N-dimethyl-formamide / 1 h

5: N,N-dimethyl-formamide / 2 h

With piperidine; pyridine; 2,6-dimethylpyridine; 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

: 1353557-59-1
(S)-2-((2S,8R,9R)-14-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-8-((((allyloxy)carbonyl)(methyl)amino)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate

: 1403481-75-3
(S)-2-((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 1,3-dimethylbarbituric acid / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / dichloromethane / 1 h / 20 °C / Inert atmosphere

2: 2,6-dimethylpyridine / dichloromethane / 15 h / 20 °C / Inert atmosphere

3: piperidine / N,N-dimethyl-formamide / 1 h

4: N,N-dimethyl-formamide / 2 h

With piperidine; 2,6-dimethylpyridine; 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane; N,N-dimethyl-formamide;