3-[(3R)-3-{(1,1-dimethylethoxycarbonyl)amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-9-yl]benzonitrile

Base Information

Chemical Name:3-[(3R)-3-{(1,1-dimethylethoxycarbonyl)amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-9-yl]benzonitrile
CAS No.:958489-76-4
Molecular Formula:C₂₁H₂₁N₃O₃S
Molecular Weight:395.482
Hs Code.:

Synonyms:3-[(3R)-3-{(1,1-dimethylethoxycarbonyl)amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-9-yl]benzonitrile

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Chemical Property of 3-[(3R)-3-{(1,1-dimethylethoxycarbonyl)amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-9-yl]benzonitrile

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Technology Process of 3-[(3R)-3-{(1,1-dimethylethoxycarbonyl)amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-9-yl]benzonitrile

There total 5 articles about 3-[(3R)-3-{(1,1-dimethylethoxycarbonyl)amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-9-yl]benzonitrile 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:

: 958489-75-3
S-(3-amino-3'-cyanobiphenyl-2-yl)-N-(1,1-dimethylethoxycarbonyl)-L-cysteine

: 958489-76-4
3-[(3R)-3-{(1,1-dimethylethoxycarbonyl)amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-9-yl]benzonitrile

Guidance literature:: S-(3-amino-3'-cyanobiphenyl-2-yl)-N-(1,1-dimethylethoxycarbonyl)-L-cysteine; With diethyl cyanophosphonate; In N,N-dimethyl-formamide; at 0 ℃; for 0.166667h;

With triethylamine; In N,N-dimethyl-formamide; at 0 ℃; for 2h;

Reference yield:

: 958489-74-2
S-(3'-cyano-3-nitrobiphenyl-2-yl)-N-(1,1-dimethylethoxycarbonyl)-L-cysteine

: 958489-76-4
3-[(3R)-3-{(1,1-dimethylethoxycarbonyl)amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-9-yl]benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrogen / palladium 10% on activated carbon / 10 h / 20 °C / 5250.53 Torr

2.1: diethyl cyanophosphonate / N,N-dimethyl-formamide / 0.17 h / 0 °C

2.2: 2 h / 0 °C

With diethyl cyanophosphonate; hydrogen; palladium 10% on activated carbon; In N,N-dimethyl-formamide;

Reference yield:

: 958489-73-1
2'-fluoro-3'-nitrobiphenyl-3-carbonitrile

: 958489-76-4
3-[(3R)-3-{(1,1-dimethylethoxycarbonyl)amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-9-yl]benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydrogencarbonate / ethanol; water / 2 h / Heating / reflux

2.1: hydrogen / palladium 10% on activated carbon / 10 h / 20 °C / 5250.53 Torr

3.1: diethyl cyanophosphonate / N,N-dimethyl-formamide / 0.17 h / 0 °C

3.2: 2 h / 0 °C

With diethyl cyanophosphonate; hydrogen; sodium hydrogencarbonate; palladium 10% on activated carbon; In ethanol; water; N,N-dimethyl-formamide;