(S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

Base Information

Chemical Name:(S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one
CAS No.:1416910-09-2
Molecular Formula:C₃₂H₃₆ClNO₆S
Molecular Weight:598.16
Hs Code.:

Synonyms:(S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

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Chemical Property of (S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

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Technology Process of (S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

There total 12 articles about (S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one 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:

: 4526-07-2
1,4-bis(trimethylsilyl)-1,3-butadiyne

: 589-87-7
1,4-bromoiodobenzene

: 66228-76-0
4-(trimethylsilylethynyl)phenylacetylene

: 1416952-67-4
(S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-hydroxy-1-(1-oxo-hexahydro-thiopyran-4-yl)-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: (S)-1-(4-chloro-phenyl)-2-{4-[(S)-1-(8,8-dioxo-8-thia-bicyclo[3.2.1]oct-3-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: 1408003-66-6
1-bromo-4-[4-(trimethylsilyl)-1,3-butadiyn-1-yl]benzene

: (S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(8,8-dioxo-8-thia-bicyclo[3.2.1]oct-3-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: 1416952-68-5
(S)-1-(4-chloro-phenyl)-2-{4-[(S)-1-hydroxy-1-(1-oxo-hexahydro-1-thiopyran-4-yl)-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: (S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(9,9-dioxo-9-thia-bicyclo[3.3.1]non-3-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: 1416910-09-2
(S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: (S)-1-(4-chloro-phenyl)-2-{4-[(S)-1-(9,9-dioxo-9-thia-bicyclo[3.3.1]non-3-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; diastereoselective reaction; Sealed tube;
DOI:10.1039/c3cc42079e

Reference yield:

: 4526-07-2
1,4-bis(trimethylsilyl)-1,3-butadiyne

: 589-87-7
1,4-bromoiodobenzene

: 66228-76-0
4-(trimethylsilylethynyl)phenylacetylene

: 1416952-67-4
(S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-hydroxy-1-(1-oxo-hexahydro-thiopyran-4-yl)-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: (S)-1-(4-chloro-phenyl)-2-{4-[(S)-1-(8,8-dioxo-8-thia-bicyclo[3.2.1]oct-3-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: 1408003-66-6
1-bromo-4-[4-(trimethylsilyl)-1,3-butadiyn-1-yl]benzene

: (S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(8,8-dioxo-8-thia-bicyclo[3.2.1]oct-3-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: 1416952-68-5
(S)-1-(4-chloro-phenyl)-2-{4-[(S)-1-hydroxy-1-(1-oxo-hexahydro-1-thiopyran-4-yl)-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: (S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(9,9-dioxo-9-thia-bicyclo[3.3.1]non-3-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: 1416910-09-2
(S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: (S)-1-(4-chloro-phenyl)-2-{4-[(S)-1-(9,9-dioxo-9-thia-bicyclo[3.3.1]non-3-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: 1416910-10-5
(S)-1-(4-chloro-phenyl)-2-{4-[(S)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene / Reflux

2: potassium acetate; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine / toluene / Reflux

With bis-triphenylphosphine-palladium(II) chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium acetate; potassium carbonate; triphenylphosphine; In toluene; 1: |Suzuki Coupling / 2: |Miyaura Borylation Reaction;
DOI:10.1039/c3tc32214a

Reference yield:

: 60563-13-5
ethyl homovanillate

: 1416910-09-2
(S)-1-(4-chloro-phenyl)-2-{4-[(R)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

: 1416910-10-5
(S)-1-(4-chloro-phenyl)-2-{4-[(S)-1-(1,1-dioxo-hexahydro-1-thiopyran-4-yl)-1-hydroxy-ethyl]-phenyl}-7-isopropoxy-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

Guidance literature:: Multi-step reaction with 7 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 60 °C

2.1: tin(IV) chloride / dichloromethane / 1.5 h / 0 °C

3.1: titanium(IV) tetraethanolate / dichloromethane / 5 h / 0 °C / Reflux

4.1: bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate / tetrahydrofuran / 6 h / 20 - 60 °C / Inert atmosphere

5.1: hydrogenchloride / methanol / 0.5 h / 20 °C

5.2: 0.25 h / 20 °C

6.1: potassium phosphate; copper(l) iodide; (S,S)-1,2-diaminocyclohexane / 1,4-dioxane / 30 h / 97 °C / Inert atmosphere; Sealed vial

7.1: trifluoroacetic acid / n-heptane; ethanol / Resolution of racemate

With hydrogenchloride; titanium(IV) tetraethanolate; potassium carbonate; trifluoroacetic acid; potassium phosphate; copper(l) iodide; bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; (S,S)-1,2-diaminocyclohexane; tin(IV) chloride; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; n-heptane; dichloromethane; N,N-dimethyl-formamide;