ethyl (3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylate

Base Information

• Chemical Name: ethyl (3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylate
• CAS No.: 937055-14-6
• Molecular Formula: C₃₁H₃₅ClN₂O₆
• Molecular Weight: 567.082

Synonyms:ethyl (3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylate

Chemical Property of ethyl (3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylate

Chemical Property:

Purity/Quality:

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Technology Process of ethyl (3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylate

There total 11 articles about ethyl (3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylate 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: 91.0%

3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionic acid (937054-53-0) + (S)-(+)-nipecotic acid ethyl ester (37675-18-6) → ethyl (3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylate (937055-14-6)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2012.02.054

Reference yield:

[5-chloro-2-(1H-pyrrol-1-yl)phenyl](2,3-dimethoxyphenyl)methanone (937057-48-2) → ethyl (3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylate (937055-14-6)

Guidance literature:

Multi-step reaction with 10 steps

1.1: trichlorophosphate / 20 °C / Cooling with ice

1.2: 3 h / 50 °C

2.1: toluene / 7 h / 100 °C

3.1: sodium tetrahydroborate / methanol / 1 h / 20 °C

4.1: trifluoroacetic acid / dichloromethane / 8 h / 20 °C

5.1: CHIRALCEL OD column / hexane; isopropyl alcohol / Resolution of racemate

6.1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 °C

7.1: triethylamine / dichloromethane / 3 h / 0 °C

8.1: dimethyl sulfoxide / 13 h / 50 °C

9.1: water; sodium hydroxide / isopropyl alcohol / 96 h / Reflux

9.2: Cooling with ice

10.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C

With sodium tetrahydroborate; lithium aluminium tetrahydride; water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; sodium hydroxide; trichlorophosphate; In tetrahydrofuran; methanol; hexane; dichloromethane; dimethyl sulfoxide; isopropyl alcohol; toluene; 1.1: Vilsmeier reaction / 1.2: Vilsmeier reaction / 2.1: Wittig reaction / 4.1: Michael reaction;

DOI:10.1016/j.bmc.2012.02.054

Reference yield:

1-[4-chloro-2-(2,3-dimethoxybenzoyl)phenyl]-1H-pyrrole-2-carbaldehyde (937057-49-3) → ethyl (3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylate (937055-14-6)

Guidance literature:

Multi-step reaction with 9 steps

1.1: toluene / 7 h / 100 °C

2.1: sodium tetrahydroborate / methanol / 1 h / 20 °C

3.1: trifluoroacetic acid / dichloromethane / 8 h / 20 °C

4.1: CHIRALCEL OD column / hexane; isopropyl alcohol / Resolution of racemate

5.1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 °C

6.1: triethylamine / dichloromethane / 3 h / 0 °C

7.1: dimethyl sulfoxide / 13 h / 50 °C

8.1: water; sodium hydroxide / isopropyl alcohol / 96 h / Reflux

8.2: Cooling with ice

9.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C

With sodium tetrahydroborate; lithium aluminium tetrahydride; water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; sodium hydroxide; In tetrahydrofuran; methanol; hexane; dichloromethane; dimethyl sulfoxide; isopropyl alcohol; toluene; 1.1: Wittig reaction / 3.1: Michael reaction;

DOI:10.1016/j.bmc.2012.02.054

upstream raw materials:

3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionic acid

(S)-(+)-nipecotic acid ethyl ester

[5-chloro-2-(1H-pyrrol-1-yl)phenyl](2,3-dimethoxyphenyl)methanone

1-[4-chloro-2-(2,3-dimethoxybenzoyl)phenyl]-1H-pyrrole-2-carbaldehyde

Downstream raw materials:

(3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidinecarboxylic acid

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