4-(4-chlorophenyl)-1-[(S)-3,4-dihydroxybutyl]-3-{3-[4-(4-{[(4-{[(S)-4-(dimethylamino)-1-(phenylthio)but-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}phenyl)piperazin-1-yl]phenyl}-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

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Chemical Name:4-(4-chlorophenyl)-1-[(S)-3,4-dihydroxybutyl]-3-{3-[4-(4-{[(4-{[(S)-4-(dimethylamino)-1-(phenylthio)but-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}phenyl)piperazin-1-yl]phenyl}-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS No.:1379604-75-7
Molecular Formula:C₅₈H₇₁ClN₁₀O₈S₂
Molecular Weight:1135.85
Hs Code.:

4-(4-chlorophenyl)-1-[(S)-3,4-dihydroxybutyl]-3-{3-[4-(4-{[(4-{[(S)-4-(dimethylamino)-1-(phenylthio)but-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}phenyl)piperazin-1-yl]phenyl}-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

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Chemical Property of 4-(4-chlorophenyl)-1-[(S)-3,4-dihydroxybutyl]-3-{3-[4-(4-{[(4-{[(S)-4-(dimethylamino)-1-(phenylthio)but-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}phenyl)piperazin-1-yl]phenyl}-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

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Technology Process of 4-(4-chlorophenyl)-1-[(S)-3,4-dihydroxybutyl]-3-{3-[4-(4-{[(4-{[(S)-4-(dimethylamino)-1-(phenylthio)but-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}phenyl)piperazin-1-yl]phenyl}-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

There total 6 articles about 4-(4-chlorophenyl)-1-[(S)-3,4-dihydroxybutyl]-3-{3-[4-(4-{[(4-{[(S)-4-(dimethylamino)-1-(phenylthio)but-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}phenyl)piperazin-1-yl]phenyl}-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide 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: 29.0%

: C₂₉H₃₆N₆O₅S₂

: 1376191-03-5
(S)-4-(4-chlorophenyl)-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(3-iodophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

: 1379604-75-7
4-(4-chlorophenyl)-1-[(S)-3,4-dihydroxybutyl]-3-{3-[4-(4-{[(4-{[(S)-4-(dimethylamino)-1-(phenylthio)but-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}phenyl)piperazin-1-yl]phenyl}-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

Guidance literature:: C₂₉H₃₆N₆O₅S₂; (S)-4-(4-chlorophenyl)-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(3-iodophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide; With tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; In N,N-dimethyl-formamide; toluene; at 20 - 70 ℃; Inert atmosphere;

With hydrogenchloride; In 1,4-dioxane; methanol; water; for 0.166667h; Inert atmosphere;
DOI:10.1021/jm300178u

Reference yield:

: 1376190-93-0
ethyl 4-(4-chlorophenyl)-3-(3-iodophenyl)-1H-pyrrole-2-carboxylate

: 1379604-75-7
4-(4-chlorophenyl)-1-[(S)-3,4-dihydroxybutyl]-3-{3-[4-(4-{[(4-{[(S)-4-(dimethylamino)-1-(phenylthio)but-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}phenyl)piperazin-1-yl]phenyl}-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

Guidance literature:: Multi-step reaction with 4 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 8 h / 60 °C / Inert atmosphere

2.1: potassium hydroxide / tetrahydrofuran; methanol; water / Reflux; Inert atmosphere

2.2: Inert atmosphere

3.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / dichloromethane / 8 h

3.2: 0.17 h

4.1: tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate / N,N-dimethyl-formamide; toluene / 20 - 70 °C / Inert atmosphere

4.2: 0.17 h / Inert atmosphere

With tri-tert-butyl phosphine; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; potassium hydroxide; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm300178u

Reference yield:

: 1376190-98-5
(S)-ethyl 4-(4-chlorophenyl)-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(3-iodophenyl)-1H-pyrrole-2-carboxylate

: 1379604-75-7
4-(4-chlorophenyl)-1-[(S)-3,4-dihydroxybutyl]-3-{3-[4-(4-{[(4-{[(S)-4-(dimethylamino)-1-(phenylthio)but-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}phenyl)piperazin-1-yl]phenyl}-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: potassium hydroxide / tetrahydrofuran; methanol; water / Reflux; Inert atmosphere

1.2: Inert atmosphere

2.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / dichloromethane / 8 h

2.2: 0.17 h

3.1: tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate / N,N-dimethyl-formamide; toluene / 20 - 70 °C / Inert atmosphere

3.2: 0.17 h / Inert atmosphere

With tri-tert-butyl phosphine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; potassium hydroxide; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm300178u