Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester

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Chemical Name:Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester
CAS No.:808196-31-8
Molecular Formula:C₃₉H₃₆IN₅O₆S₂
Molecular Weight:861.781
Hs Code.:

Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester

Synonyms:Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester

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Chemical Property of Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester

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Technology Process of Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester

There total 9 articles about Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-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:

: 84468-15-5
5-isoquinolinesulfonyl chloride

: (S)-3-(4-Hydroxy-phenyl)-1-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-methylamino-propan-1-one

: 808196-31-8
Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester

Guidance literature:: With TEA; In dichloromethane; at 20 ℃; for 18h;
DOI:10.1016/j.bmcl.2004.07.095

Reference yield:

: 39512-51-1
1-(o-toluyl)piperazine

: 808196-31-8
Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester

Guidance literature:: Multi-step reaction with 9 steps

1: HOBt; EDC / dimethylformamide / 24 h / 20 °C

2: TFA / CH₂Cl₂ / 20 °C

3: TEA / CH₂Cl₂ / 18 h / 20 °C

4: 100 percent / TEA / CH₂Cl₂ / 24 h

5: IPy₂BF₄ / CH₂Cl₂ / 1 h / 20 °C

6: HCl / methanol / 2 h / 20 °C

7: HOBt; EDC / dimethylformamide / 24 h / 20 °C

8: TFA / CH₂Cl₂ / 20 °C

9: TEA / CH₂Cl₂ / 18 h / 20 °C

With hydrogenchloride; Barluenga reagent; TEA; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; trifluoroacetic acid; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2004.07.095

Reference yield:

: tert-butyl 4-(o-tolyl)piperazine-1-carboxylate

: 808196-31-8
Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-iodo-2-methyl-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: IPy₂BF₄ / CH₂Cl₂ / 1 h / 20 °C

2: HCl / methanol / 2 h / 20 °C

3: HOBt; EDC / dimethylformamide / 24 h / 20 °C

4: TFA / CH₂Cl₂ / 20 °C

5: TEA / CH₂Cl₂ / 18 h / 20 °C

With hydrogenchloride; Barluenga reagent; TEA; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; trifluoroacetic acid; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2004.07.095