4-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester

Base Information

• Chemical Name: 4-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
• CAS No.: 1310585-36-4
• Molecular Formula: C₃₃H₄₁FN₆O₄S
• Molecular Weight: 636.791

Synonyms:4-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester

Chemical Property of 4-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester

Chemical Property:

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Technology Process of 4-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester

There total 29 articles about 4-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl 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: 51.0%

4-{2-[2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3,3-dimethyl-butyryl}-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester (1310585-80-8) → 4-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester (1310585-36-4)

Guidance literature:

4-{2-[2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3,3-dimethyl-butyryl}-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester; With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 2.5h;

With sodium hydrogencarbonate; In water; ethyl acetate;

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) → 4-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester (1310585-36-4)

Guidance literature:

Multi-step reaction with 13 steps

1.1: triethylamine / dichloromethane / 2.5 h / 0 - 20 °C

2.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 6 h / 20 - 45 °C

3.1: dmap / dichloromethane / 3 h / 0 °C

4.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 0 °C

5.1: sodium periodate / ruthenium(III) trichloride hydrate / 1-methyl-pyrrolidin-2-one; tetrachloromethane; acetonitrile; water / 3.83 h

6.1: triethylamine / diethyl ether; tetrahydrofuran / 20 °C

6.2: 1 h / -30 °C

6.3: 19 h / -30 - 20 °C

7.1: hydrogen bromide / 1,4-dioxane / 0.5 h / 0 - 20 °C

8.1: ethanol / 17 h / Reflux

9.1: trifluoroacetic acid / dichloromethane / 5 h / 0 °C

10.1: N-ethyl-N,N-diisopropylamine; HATU / 1-methyl-pyrrolidin-2-one / 0.33 h / 0 °C

10.2: 18 h / 0 - 20 °C

11.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C

12.1: N-ethyl-N,N-diisopropylamine; HATU / 1-methyl-pyrrolidin-2-one / 0.33 h / 0 °C

12.2: 3 h / 0 - 20 °C

13.1: trifluoroacetic acid / dichloromethane / 2.5 h / 0 - 20 °C

With dmap; sodium periodate; tetrabutyl ammonium fluoride; hydrogen bromide; sodium hydride; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; trifluoroacetic acid; ruthenium(III) trichloride hydrate; In tetrahydrofuran; 1,4-dioxane; 1-methyl-pyrrolidin-2-one; tetrachloromethane; diethyl ether; ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

(2S,3S)-1-(tert-butoxycarbonyl)-3-hydroxypyrrolidine-2-carboxylic acid (187039-57-2,335280-19-8) → 4-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-3-[2-(4-fluoro-phenylamino)-thiazol-4-yl]-octahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester (1310585-36-4)

Guidance literature:

Multi-step reaction with 21 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 0 - 90 °C

2.1: 1H-imidazole / dichloromethane / 6 h / 0 - 20 °C

3.1: lithium borohydride / tetrahydrofuran / 3 h / 0 - 20 °C

4.1: triethylamine; sulfur trioxide pyridine complex / dichloromethane; dimethyl sulfoxide / 2 h / 0 - 20 °C

5.1: triethylamine / 12 h

6.1: thionyl chloride / dichloromethane / 1 h / -78 °C

6.2: 1 h / -78 °C

7.1: / acetonitrile / 16 h / 20 °C

8.1: hydrogen / ethanol / 1.5 h / 2585.81 Torr

9.1: triethylamine / dichloromethane / 2.5 h / 0 - 20 °C

10.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 6 h / 20 - 45 °C

11.1: dmap / dichloromethane / 3 h / 0 °C

12.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 0 °C

13.1: sodium periodate / ruthenium(III) trichloride hydrate / 1-methyl-pyrrolidin-2-one; tetrachloromethane; acetonitrile; water / 3.83 h

14.1: triethylamine / diethyl ether; tetrahydrofuran / 20 °C

14.2: 1 h / -30 °C

14.3: 19 h / -30 - 20 °C

15.1: hydrogen bromide / 1,4-dioxane / 0.5 h / 0 - 20 °C

16.1: ethanol / 17 h / Reflux

17.1: trifluoroacetic acid / dichloromethane / 5 h / 0 °C

18.1: N-ethyl-N,N-diisopropylamine; HATU / 1-methyl-pyrrolidin-2-one / 0.33 h / 0 °C

18.2: 18 h / 0 - 20 °C

19.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C

20.1: N-ethyl-N,N-diisopropylamine; HATU / 1-methyl-pyrrolidin-2-one / 0.33 h / 0 °C

20.2: 3 h / 0 - 20 °C

21.1: trifluoroacetic acid / dichloromethane / 2.5 h / 0 - 20 °C

With 1H-imidazole; dmap; sodium periodate; lithium borohydride; thionyl chloride; tetrabutyl ammonium fluoride; hydrogen bromide; hydrogen; sulfur trioxide pyridine complex; sodium hydride; potassium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; trifluoroacetic acid; ruthenium(III) trichloride hydrate; In tetrahydrofuran; 1,4-dioxane; 1-methyl-pyrrolidin-2-one; tetrachloromethane; diethyl ether; ethanol; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

benzyl chloroformate

(2S,3S)-1-(tert-butoxycarbonyl)-3-hydroxypyrrolidine-2-carboxylic acid

(2S,3S)-1-tert-butyl-2-methyl 3-hydroxypyrrolidine-1,2-dicarboxylate

tert-butyl (2R,3S)-3-{[tert-butyl(dimethyl)silyl]oxy}-2-(hydroxymethyl)pyrrolidine-1-carboxylate

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