(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

Base Information

Chemical Name:(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
CAS No.:850315-77-4
Molecular Formula:C₃₉H₄₈N₄O₇S
Molecular Weight:716.899
Hs Code.:

(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

Synonyms:(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

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Chemical Property of (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

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Technology Process of (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

There total 8 articles about (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 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: 96.0%

: (2S)-2-amino-N-[(1S)-1-[4-(2-tert-butyl-1,1,3-trioxo-2,3-dihydroisothiazol-5-yl)benzyl]-2-oxo-2-(pentylamino)ethyl]-3-phenylpropanamide hydrochloride

: 104-01-8
4-Methoxyphenylacetic acid

: 850315-77-4
(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

Guidance literature:: With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; for 16h;
DOI:10.1016/j.bmc.2006.05.032

Reference yield:

: 850314-47-5
2-tert-butyl-5-chloro-1,1-dioxo-1,2-dihydro-1λ⁶-isothiazol-3-one

: 850315-77-4
(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

Guidance literature:: Multi-step reaction with 5 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

With hydrogenchloride; 1-hydroxy-7-aza-benzotriazole; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl-formamide; 1: Suzuki coupling;
DOI:10.1016/j.bmc.2006.05.032

Reference yield:

: 850314-48-6
Nα-(tert-butoxycarbonyl)-4-(dihydroxyboryl)-N-pentyl-L-phenylalaninamide

: 850315-77-4
(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

Guidance literature:: Multi-step reaction with 5 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

With hydrogenchloride; 1-hydroxy-7-aza-benzotriazole; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl-formamide; 1: Suzuki coupling;
DOI:10.1016/j.bmc.2006.05.032