(S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide

Base Information

Chemical Name:(S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide
CAS No.:329259-27-0
Molecular Formula:C₃₉H₅₀FN₅O₄
Molecular Weight:671.856
Hs Code.:

(S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide

Synonyms:(S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide

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Chemical Property of (S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide

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Technology Process of (S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide

There total 24 articles about (S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide 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: 66.0%

: 6959-48-4
3-chloromethylpyridinium chloride

: 360558-67-4
(S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-piperazine-2-carboxylic acid tert-butylamide

: 329259-27-0
(S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; at 23 ℃; for 23h;
DOI:10.1021/ja010113y

Reference yield:

: (R)-2-Fluoro-3-nitromethyl-4-phenyl-butyric acid

: 329259-27-0
(S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide

Guidance literature:: Multi-step reaction with 12 steps

1.1: (COCl)2; DMF / CH₂Cl₂ / 0 - 23 °C

2.1: 3.41 g / tetrahydrofuran; hexane / 2 h / 0 °C

3.1: 96 percent / glacial acetic acid; aq. HBr / 0.17 h / 0 °C

4.1: 29 percent / lithium borohydride / tetrahydrofuran / -100 - -78 °C

5.1: 96 percent / p-toluenesulfonic acid monohydrate / 13 h / 23 °C

6.1: t-BuOK / 2-methyl-propan-2-ol / 0.08 h / 23 °C

6.2: sodium tetraborate; KMnO₄ / 2-methyl-propan-2-ol; H₂O / 0.25 h / 0 °C

6.3: 77 percent / 1-hydroxybenzotriazole; EDC*HCl; triethylamine / CH₂Cl₂

7.1: 88 percent / p-toluenesulfonic acid monohydrate / methanol / 3 h / 23 °C

8.1: 89 percent / methanesulfonic acid / ethyl acetate / 3 h / 23 °C

9.1: 85 percent / t-BuOK / tetrahydrofuran / 0.25 h / 0 °C

10.1: 78 percent / propan-2-ol / 13 h / 80 °C

11.1: 90 percent / 1,4-cyclohexadiene; H₂ / Pd/C / ethyl acetate / 1.3 h / 23 °C / 760.05 Torr

12.1: 66 percent / triethylamine / dimethylformamide / 23 h / 23 °C

With lithium borohydride; oxalyl dichloride; methanesulfonic acid; cyclohexa-1,4-diene; potassium tert-butylate; hydrogen bromide; hydrogen; toluene-4-sulfonic acid; acetic acid; triethylamine; N,N-dimethyl-formamide; palladium on activated charcoal; In tetrahydrofuran; methanol; hexane; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol; tert-butyl alcohol;
DOI:10.1021/ja010113y

Reference yield:

: (R)-2-Fluoro-3-nitromethyl-4-phenyl-butyryl chloride

: 329259-27-0
(S)-1-[(2S,3R,4S)-4-Benzyl-5-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-fluoro-2-hydroxy-5-oxo-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide

Guidance literature:: Multi-step reaction with 11 steps

1.1: 3.41 g / tetrahydrofuran; hexane / 2 h / 0 °C

2.1: 96 percent / glacial acetic acid; aq. HBr / 0.17 h / 0 °C

3.1: 29 percent / lithium borohydride / tetrahydrofuran / -100 - -78 °C

4.1: 96 percent / p-toluenesulfonic acid monohydrate / 13 h / 23 °C

5.1: t-BuOK / 2-methyl-propan-2-ol / 0.08 h / 23 °C

5.2: sodium tetraborate; KMnO₄ / 2-methyl-propan-2-ol; H₂O / 0.25 h / 0 °C

5.3: 77 percent / 1-hydroxybenzotriazole; EDC*HCl; triethylamine / CH₂Cl₂

6.1: 88 percent / p-toluenesulfonic acid monohydrate / methanol / 3 h / 23 °C

7.1: 89 percent / methanesulfonic acid / ethyl acetate / 3 h / 23 °C

8.1: 85 percent / t-BuOK / tetrahydrofuran / 0.25 h / 0 °C

9.1: 78 percent / propan-2-ol / 13 h / 80 °C

10.1: 90 percent / 1,4-cyclohexadiene; H₂ / Pd/C / ethyl acetate / 1.3 h / 23 °C / 760.05 Torr

11.1: 66 percent / triethylamine / dimethylformamide / 23 h / 23 °C

With lithium borohydride; methanesulfonic acid; cyclohexa-1,4-diene; potassium tert-butylate; hydrogen bromide; hydrogen; toluene-4-sulfonic acid; acetic acid; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; hexane; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol; tert-butyl alcohol;
DOI:10.1021/ja010113y