(S)-2-{(2S,3S)-2-[3-[5-(2-Benzyloxycarbonylamino-1-hydroxy-ethyl)-2-methoxy-phenyl]-2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid pentafluorophenyl ester

Base Information Edit

Chemical Name:(S)-2-{(2S,3S)-2-[3-[5-(2-Benzyloxycarbonylamino-1-hydroxy-ethyl)-2-methoxy-phenyl]-2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid pentafluorophenyl ester
CAS No.:84133-17-5
Molecular Formula:C₄₇H₅₃F₅N₄O₁₀
Molecular Weight:928.951
Hs Code.:
Mol file:84133-17-5.mol

(S)-2-{(2S,3S)-2-[3-[5-(2-Benzyloxycarbonylamino-1-hydroxy-ethyl)-2-methoxy-phenyl]-2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid pentafluorophenyl ester

Synonyms:(S)-2-{(2S,3S)-2-[3-[5-(2-Benzyloxycarbonylamino-1-hydroxy-ethyl)-2-methoxy-phenyl]-2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid pentafluorophenyl ester

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Chemical Property of (S)-2-{(2S,3S)-2-[3-[5-(2-Benzyloxycarbonylamino-1-hydroxy-ethyl)-2-methoxy-phenyl]-2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid pentafluorophenyl ester Edit

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Technology Process of (S)-2-{(2S,3S)-2-[3-[5-(2-Benzyloxycarbonylamino-1-hydroxy-ethyl)-2-methoxy-phenyl]-2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid pentafluorophenyl ester

There total 17 articles about (S)-2-{(2S,3S)-2-[3-[5-(2-Benzyloxycarbonylamino-1-hydroxy-ethyl)-2-methoxy-phenyl]-2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid pentafluorophenyl ester 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%

: 771-61-9
2,3,4,5,6-pentafluorophenol

: 84133-16-4,91465-34-8,91465-35-9
<(2S)-5'-<(1RS)-2-(Benzyloxycarbonylamino)-1-hydroxyethyl>-N-(tert-butyloxycarbonyl)-2'-methoxy-N-methylphenylalanyl>-(S)-isoleucyl-(S)-phenylalanin

: 84133-17-5,91465-36-0,91465-37-1
<(2S)-5'-<(1RS)-2-(Benzyloxycarbonylamino)-1-hydroxyethyl>-N-(tert-butyloxycarbonyl)-2'-methoxy-N-methylphenylalanyl>-(S)-isoleucyl-(S)-phenylalanin-pentafluorphenylester

Guidance literature:: With dicyclohexyl-carbodiimide; In dichloromethane; for 12h;
DOI:10.1002/jlac.198419840616

Reference yield:

: 91420-99-4
3-formyl-4-methoxy-benzoic acid

: 84133-17-5,91465-36-0,91465-37-1
<(2S)-5'-<(1RS)-2-(Benzyloxycarbonylamino)-1-hydroxyethyl>-N-(tert-butyloxycarbonyl)-2'-methoxy-N-methylphenylalanyl>-(S)-isoleucyl-(S)-phenylalanin-pentafluorphenylester

Guidance literature:: Multi-step reaction with 12 steps

1: 1.) 1N NaOH / 2.) DMF, 4 h, 70 deg C

2: 72 percent / t-BuOK / CH₂Cl₂ / 1.) <= -60 deg C, 2.) room temperature, 3 h

3: 78 percent / K₂CO₃ / dimethylformamide / 72 h

4: 97 percent / H₂ / >-tetrafluoroborate / ethanol / 18 h / 40 °C / 2206.5 Torr

5: 82 percent / H₂ / 5percent Pd/C / methanol / 2 h / 2206.5 Torr / Ambient temperature

6: 1.) N,N'-carbonyldiimidazole / 1.)THF, 30 min, room temperature 2.) 5h, 50 deg C

7: 92 percent / NaNO₂ / acetic acid; H₂O / 2 h / 0 °C

8: 1.) H₂ 2.) NaHCO₃ / 1.) 5percent Pd/C / 1.) glacial acetic acid, 9h 2.) dioxane/H₂O, 10h

9: 88 percent / 1N NaOH / dioxane; H₂O / 4 h / Ambient temperature

10: 80 percent / N,N'-dicyclohexylcarbodiimide / CH₂Cl₂ / 10 h

11: 97 percent / 0.1N NaOH / dioxane; H₂O / 1 h / Ambient temperature

12: 96 percent / N,N'-dicyclohexylcarbodiimide / CH₂Cl₂ / 12 h

With sodium hydroxide; potassium tert-butylate; hydrogen; sodium hydrogencarbonate; potassium carbonate; dicyclohexyl-carbodiimide; 1,1'-carbonyldiimidazole; sodium nitrite; palladium on activated charcoal; >-tetrafluoroborate; In 1,4-dioxane; methanol; ethanol; dichloromethane; water; acetic acid; N,N-dimethyl-formamide;
DOI:10.1002/jlac.198419840616

Reference yield:

: 121056-95-9,89524-98-1
trimethyl 2-(tert-butoxycarbonylamino)phosphonoacetate

: 84133-17-5,91465-36-0,91465-37-1
<(2S)-5'-<(1RS)-2-(Benzyloxycarbonylamino)-1-hydroxyethyl>-N-(tert-butyloxycarbonyl)-2'-methoxy-N-methylphenylalanyl>-(S)-isoleucyl-(S)-phenylalanin-pentafluorphenylester

Guidance literature:: Multi-step reaction with 11 steps

1: 72 percent / t-BuOK / CH₂Cl₂ / 1.) <= -60 deg C, 2.) room temperature, 3 h

2: 78 percent / K₂CO₃ / dimethylformamide / 72 h

3: 97 percent / H₂ / >-tetrafluoroborate / ethanol / 18 h / 40 °C / 2206.5 Torr

4: 82 percent / H₂ / 5percent Pd/C / methanol / 2 h / 2206.5 Torr / Ambient temperature

5: 1.) N,N'-carbonyldiimidazole / 1.)THF, 30 min, room temperature 2.) 5h, 50 deg C

6: 92 percent / NaNO₂ / acetic acid; H₂O / 2 h / 0 °C

7: 1.) H₂ 2.) NaHCO₃ / 1.) 5percent Pd/C / 1.) glacial acetic acid, 9h 2.) dioxane/H₂O, 10h

8: 88 percent / 1N NaOH / dioxane; H₂O / 4 h / Ambient temperature

9: 80 percent / N,N'-dicyclohexylcarbodiimide / CH₂Cl₂ / 10 h

10: 97 percent / 0.1N NaOH / dioxane; H₂O / 1 h / Ambient temperature

11: 96 percent / N,N'-dicyclohexylcarbodiimide / CH₂Cl₂ / 12 h

With sodium hydroxide; potassium tert-butylate; hydrogen; sodium hydrogencarbonate; potassium carbonate; dicyclohexyl-carbodiimide; 1,1'-carbonyldiimidazole; sodium nitrite; palladium on activated charcoal; >-tetrafluoroborate; In 1,4-dioxane; methanol; ethanol; dichloromethane; water; acetic acid; N,N-dimethyl-formamide;
DOI:10.1002/jlac.198419840616