2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid

Base Information

Chemical Name:2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid
CAS No.:937060-20-3
Molecular Formula:C₃₀H₃₃ClN₂O₇
Molecular Weight:569.054
Hs Code.:

Synonyms:2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid

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Chemical Property of 2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid

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Technology Process of 2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid

There total 10 articles about 2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid 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: 97.0%

: 937060-19-0
methyl 2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetate

: 937060-20-3
2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid

Guidance literature:: methyl 2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetate; With potassium carbonate; In tetrahydrofuran; methanol; water; at 20 ℃; Heating;

With acetic acid; In tetrahydrofuran; methanol; water;
DOI:10.1016/j.bmc.2012.02.054

Reference yield:

: 937054-53-0
3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionic acid

: 937060-20-3
2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid

Guidance literature:: Multi-step reaction with 2 steps

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

2: potassium carbonate / tetrahydrofuran; methanol; water / 20 °C / Heating

With potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; methanol; dichloromethane; water;
DOI:10.1016/j.bmc.2012.02.054

Reference yield:

: 937057-48-2
[5-chloro-2-(1H-pyrrol-1-yl)phenyl](2,3-dimethoxyphenyl)methanone

: 937060-20-3
2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid

Guidance literature:: Multi-step reaction with 11 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

11.1: potassium carbonate / tetrahydrofuran; methanol; water / 20 °C / Heating

With sodium tetrahydroborate; lithium aluminium tetrahydride; water; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; sodium hydroxide; trichlorophosphate; In tetrahydrofuran; methanol; hexane; dichloromethane; water; 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