5-Isoquinolinesulfonic acid, 4-[(2S)-3-[4-(4-cyanophenyl)-1-piperazinyl]-2-[[(1,1-dimethylethoxy)carb onyl]methylamino]-3-oxopropyl]phenyl ester

Base Information

Chemical Name:5-Isoquinolinesulfonic acid, 4-[(2S)-3-[4-(4-cyanophenyl)-1-piperazinyl]-2-[[(1,1-dimethylethoxy)carb onyl]methylamino]-3-oxopropyl]phenyl ester
CAS No.:516473-19-1
Molecular Formula:C35H37N5O6S
Molecular Weight:655.775
Hs Code.:

5-Isoquinolinesulfonic acid,
4-[(2S)-3-[4-(4-cyanophenyl)-1-piperazinyl]-2-[[(1,1-dimethylethoxy)carb
onyl]methylamino]-3-oxopropyl]phenyl ester

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Chemical Property of 5-Isoquinolinesulfonic acid, 4-[(2S)-3-[4-(4-cyanophenyl)-1-piperazinyl]-2-[[(1,1-dimethylethoxy)carb onyl]methylamino]-3-oxopropyl]phenyl ester

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Technology Process of 5-Isoquinolinesulfonic acid, 4-[(2S)-3-[4-(4-cyanophenyl)-1-piperazinyl]-2-[[(1,1-dimethylethoxy)carb onyl]methylamino]-3-oxopropyl]phenyl ester

There total 3 articles about 5-Isoquinolinesulfonic acid, 4-[(2S)-3-[4-(4-cyanophenyl)-1-piperazinyl]-2-[[(1,1-dimethylethoxy)carb onyl]methylamino]-3-oxopropyl]phenyl 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: 97.0%

: 84468-15-5
5-isoquinolinesulfonyl chloride

: 516472-91-6
1-[(S)-N-tert-butyloxycarbonyl-N-methyltyrosyl]-4-(4-cyanophenyl)piperazine

: 516473-19-1
1-[(S)-O-5-isoquinolinesulfonyl-N-tert-butyloxycarbonyl-N-methyltyrosyl]-4-(4-cyanophenyl)piperazine

Guidance literature:: 1-[(S)-N-tert-butyloxycarbonyl-N-methyltyrosyl]-4-(4-cyanophenyl)piperazine; With sodium hydride; In tetrahydrofuran; for 0.166667h;

5-isoquinolinesulfonyl chloride; In tetrahydrofuran; dichloromethane; at 20 ℃; for 18h;
DOI:10.1021/jm021049d

Reference yield:

: 82038-34-4
(S)-2-((tert-butoxycarbonyl)(methyl)amino)-3-(4-hydroxyphenyl)propanoic acid

: 516473-19-1
1-[(S)-O-5-isoquinolinesulfonyl-N-tert-butyloxycarbonyl-N-methyltyrosyl]-4-(4-cyanophenyl)piperazine

Guidance literature:: Multi-step reaction with 2 steps

1.1: 76 percent / EDC; HOBt / dimethylformamide / 24 h / 20 °C

2.1: NaH / tetrahydrofuran / 0.17 h

2.2: 97 percent / tetrahydrofuran; CH₂Cl₂ / 18 h / 20 °C

With sodium hydride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm021049d

Reference yield:

: 68104-63-2
N-(4-cyanophenyl)piperazine

: 516473-19-1
1-[(S)-O-5-isoquinolinesulfonyl-N-tert-butyloxycarbonyl-N-methyltyrosyl]-4-(4-cyanophenyl)piperazine

Guidance literature:: Multi-step reaction with 2 steps

1.1: 76 percent / EDC; HOBt / dimethylformamide / 24 h / 20 °C

2.1: NaH / tetrahydrofuran / 0.17 h

2.2: 97 percent / tetrahydrofuran; CH₂Cl₂ / 18 h / 20 °C

With sodium hydride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm021049d