3-[4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide

Base Information

• Chemical Name: 3-[4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide
• CAS No.: 910606-98-3
• Molecular Formula: C₃₉H₅₀N₄O₇S
• Molecular Weight: 718.915

Synonyms:3-[4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide

Chemical Property of 3-[4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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Technology Process of 3-[4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide

There total 9 articles about 3-[4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide 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: 36.0%

(2S)-3-[4-(2-tert-butyl-1,1,3-trioxo-2,3-dihydroisothiazol-5-yl)phenyl]-2-[((2S)-2-{[(4-methoxyphenyl)acetyl]amino}-3-phenylpropanoyl)amino]-N-pentylpropanamide (850315-77-4) → 3-[4-(2-tert-butyl-1,1,3-trioxo-1λ6-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide (910606-98-3) + 3-[4-(2-tert-butyl-1,1,3-trioxo-1λ6-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide (910606-99-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 16h; under 2585.74 Torr;

DOI:10.1016/j.bmc.2006.05.032

Reference yield:

2-tert-butyl-5-chloro-1,1-dioxo-1,2-dihydro-1λ6-isothiazol-3-one (850314-47-5) → 3-[4-(2-tert-butyl-1,1,3-trioxo-1λ6-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide (910606-98-3)

Guidance literature:

Multi-step reaction with 6 steps

1: 60 percent / K₂CO₃ / PdCl₂(dppf)*CH₂Cl₂ / 1,2-dimethoxy-ethane / 24 h / 80 °C

2: 100 percent / hydrochloric acid / dioxane / 16 h

3: 85 percent / ethyldiisopropylamine; 1-hydroxy-7-azabenzotriazole; N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride / CH₂Cl₂; dimethylformamide / 16 h

4: 100 percent / hydrochloric acid / dioxane / 16 h

5: 96 percent / ethyldiisopropylamine; 1-hydroxy-7-azabenzotriazole; N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride / CH₂Cl₂; dimethylformamide / 16 h

6: 28 percent / hydrogen / Pd/C / methanol / 16 h / 2585.74 Torr

With hydrogenchloride; 1-hydroxy-7-aza-benzotriazole; hydrogen; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; methanol; 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl-formamide; 1: Suzuki coupling;

DOI:10.1016/j.bmc.2006.05.032

Reference yield:

Nα-(tert-butoxycarbonyl)-4-(dihydroxyboryl)-N-pentyl-L-phenylalaninamide (850314-48-6) → 3-[4-(2-tert-butyl-1,1,3-trioxo-1λ6-isothiazolidin-5-yl)-phenyl]-2-{2-[2-(4-methoxy-phenyl)-acetylamino]-3-phenyl-propionylamino}-N-pentyl-propionamide (910606-98-3)

Guidance literature:

Multi-step reaction with 6 steps

1: 60 percent / K₂CO₃ / PdCl₂(dppf)*CH₂Cl₂ / 1,2-dimethoxy-ethane / 24 h / 80 °C

2: 100 percent / hydrochloric acid / dioxane / 16 h

3: 85 percent / ethyldiisopropylamine; 1-hydroxy-7-azabenzotriazole; N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride / CH₂Cl₂; dimethylformamide / 16 h

4: 100 percent / hydrochloric acid / dioxane / 16 h

5: 96 percent / ethyldiisopropylamine; 1-hydroxy-7-azabenzotriazole; N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride / CH₂Cl₂; dimethylformamide / 16 h

6: 28 percent / hydrogen / Pd/C / methanol / 16 h / 2585.74 Torr

With hydrogenchloride; 1-hydroxy-7-aza-benzotriazole; hydrogen; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; methanol; 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl-formamide; 1: Suzuki coupling;

DOI:10.1016/j.bmc.2006.05.032

upstream raw materials:

(2S)-3-[4-(2-tert-butyl-1,1,3-trioxo-2,3-dihydroisothiazol-5-yl)phenyl]-2-[((2S)-2-{[(4-methoxyphenyl)acetyl]amino}-3-phenylpropanoyl)amino]-N-pentylpropanamide

2-tert-butyl-5-chloro-1,1-dioxo-1,2-dihydro-1λ⁶-isothiazol-3-one

Nα-(tert-butoxycarbonyl)-4-(dihydroxyboryl)-N-pentyl-L-phenylalaninamide

tert-butyl [(1S)-1-[4-(2-tert-butyl-1,1,3-trioxo-2,3-dihydroisothiazol-5-yl)benzyl]-2-oxo-2-(pentylamino)ethyl]carbamate

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