methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate

Base Information

Chemical Name:methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate
CAS No.:473987-10-9
Molecular Formula:C₂₈H₃₅ClN₂O₈
Molecular Weight:563.048
Hs Code.:

Synonyms:methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate

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Chemical Property of methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate

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Technology Process of methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate

There total 7 articles about methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate 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: 77.0%

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 189060-51-3
(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid

: 473987-10-9
methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate

Guidance literature:: With diethylphosphoryl cyanide; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;
DOI:10.1021/jm020234o

Reference yield:

: 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde

: 473987-10-9
methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate

Guidance literature:: Multi-step reaction with 6 steps

1: AcOH / methanol / 1 h / 60 °C

2: NaBH₃CN / methanol / 2 h / 60 °C

3: 100 percent / NaHCO₃ / ethyl acetate / 0.5 h / 20 °C

4: 79 percent / K₂CO₃ / ethanol / 20 °C

5: 94 percent / aq. NaOH / ethanol / 2 h / 60 °C

6: 77 percent / diethylphosphoryl cyanide; Et₃N / dimethylformamide / 0.5 h / 20 °C

With sodium hydroxide; diethylphosphoryl cyanide; sodium cyanoborohydride; sodium hydrogencarbonate; potassium carbonate; acetic acid; triethylamine; In methanol; ethanol; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm020234o

Reference yield:

: 189059-58-3
(-)-2-amino-5-chloro-α-(2,3-dimethoxyphenyl)benzyl alcohol

: 473987-10-9
methyl N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]-β-alaninate

Guidance literature:: Multi-step reaction with 6 steps

1: AcOH / methanol / 1 h / 60 °C

2: NaBH₃CN / methanol / 2 h / 60 °C

3: 100 percent / NaHCO₃ / ethyl acetate / 0.5 h / 20 °C

4: 79 percent / K₂CO₃ / ethanol / 20 °C

5: 94 percent / aq. NaOH / ethanol / 2 h / 60 °C

6: 77 percent / diethylphosphoryl cyanide; Et₃N / dimethylformamide / 0.5 h / 20 °C

With sodium hydroxide; diethylphosphoryl cyanide; sodium cyanoborohydride; sodium hydrogencarbonate; potassium carbonate; acetic acid; triethylamine; In methanol; ethanol; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm020234o