3-{4-[(S)-6,7-Dimethoxy-8-(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl]-phenoxy}-4-isopropoxy-benzoic acid methyl ester

Base Information

• Chemical Name: 3-{4-[(S)-6,7-Dimethoxy-8-(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl]-phenoxy}-4-isopropoxy-benzoic acid methyl ester
• CAS No.: 454186-14-2
• Molecular Formula: C₄₁H₄₆N₂O₉
• Molecular Weight: 710.824

Synonyms:3-{4-[(S)-6,7-Dimethoxy-8-(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl]-phenoxy}-4-isopropoxy-benzoic acid methyl ester

Chemical Property of 3-{4-[(S)-6,7-Dimethoxy-8-(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl]-phenoxy}-4-isopropoxy-benzoic acid methyl ester

Chemical Property:

Purity/Quality:

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Technology Process of 3-{4-[(S)-6,7-Dimethoxy-8-(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl]-phenoxy}-4-isopropoxy-benzoic acid methyl ester

There total 46 articles about 3-{4-[(S)-6,7-Dimethoxy-8-(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl]-phenoxy}-4-isopropoxy-benzoic acid methyl 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: 80.0%

3-[4-((S)-8-{4-[2-(Ethoxycarbonyl-methyl-amino)-ethyl]-2-methoxy-phenoxy}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-phenoxy]-4-isopropoxy-benzoic acid methyl ester (454185-87-6) → 3-{4-[(S)-6,7-Dimethoxy-8-(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl]-phenoxy}-4-isopropoxy-benzoic acid methyl ester (454186-14-2)

Guidance literature:

With dmap; trifluoromethylsulfonic anhydride; In dichloromethane; at 0 - 20 ℃; for 12h;

DOI:10.1021/ol0261635

Reference yield:

3-benzyloxy-4,5-dimethoxybenzyl alcohol (7632-62-4) → 3-{4-[(S)-6,7-Dimethoxy-8-(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl]-phenoxy}-4-isopropoxy-benzoic acid methyl ester (454186-14-2)

Guidance literature:

Multi-step reaction with 21 steps

1.1: SOCl₂ / benzene / 12 h / 20 °C

1.2: dimethylsulfoxide; benzene / 20 °C

2.1: 98 percent / sodium hydroxide / ethanol / 20 h / Heating

3.1: oxalyl chloride / benzene / 2 h / 20 °C

4.1: sodium hydroxide / H₂O; CH₂Cl₂ / 1 h / 20 °C

5.1: B₂H₆*THF; BF₃*Et₂O / tetrahydrofuran / Heating

5.2: 98 percent / hydrochloric acid / H₂O; tetrahydrofuran

6.1: 73 percent / 1-hydroxybenzotriazole hydrate; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride / dimethylformamide / 48 h / 0 °C

7.1: 100 percent / tetra-n-butylammonium fluoride / tetrahydrofuran / 1 h / 0 °C

8.1: Dess-Martin periodinane / 1 h

9.1: NaClO₂; Na₂HPO₄; resorcinol / dimethylsulfoxide / 12 h / 20 °C

10.1: methanol; benzene / 1 h / 20 °C

11.1: POCl₃ / benzene / 12 h / Heating

11.2: 40 percent / sodium borohydride / methanol / 5 h / -78 °C

12.1: hydrogen; hydrochloric acid / Pd/C / ethanol; ethyl acetate; H₂O / 15 h / 20 °C

13.1: triethylamine / 12 h / -78 - 20 °C

14.1: 90 percent / CsF / dimethylsulfoxide / 20 °C

15.1: hydrogen / Pd-C / methanol

16.1: isoamyl nitrite; tetrafluoroboric acid / acetonitrile / 0.5 h / -20 °C

16.2: potassium iodide / acetonitrile; H₂O / 2 h / -45 - 20 °C

17.1: isopropyl magnesium chloride / tetrahydrofuran / 2 h / -60 - -40 °C

17.2: trimethyl borate / tetrahydrofuran / 1 h / -60 - -40 °C

17.3: hydrogen peroxide; sodium hydroxide / tetrahydrofuran; H₂O / 1 h / -20 - 0 °C

18.1: dimethylformamide / 0 °C

19.1: trifluoroacetic acid / tetrahydrofuran

20.1: sodium cyanoborohydride / H₂O

21.1: 80 percent / triflic anhydride; 4-(dimethylamino)pyridine / CH₂Cl₂ / 12 h / 0 - 20 °C

With hydrogenchloride; dmap; sodium hydroxide; sodium chlorite; disodium hydrogenphosphate; tetrafluoroboric acid; thionyl chloride; oxalyl dichloride; trifluoromethylsulfonic anhydride; B₂H₆-THF; boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; hydrogen; isopropylmagnesium chloride; sodium cyanoborohydride; Dess-Martin periodane; 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; cesium fluoride; trifluoroacetic acid; recorcinol; trichlorophosphate; isopentyl nitrite; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; acetonitrile; benzene; 4.1: Schotten-Baumann reaction / 8.1: Dess-Martin oxidation / 11.1: Bischler-Napieralski cyclization;

DOI:10.1021/ol0261635

Reference yield:

5-bromo-4-hydroxy-3-methoxybenzaldehyde (2973-76-4) → 3-{4-[(S)-6,7-Dimethoxy-8-(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl]-phenoxy}-4-isopropoxy-benzoic acid methyl ester (454186-14-2)

Guidance literature:

Multi-step reaction with 27 steps

1.1: 89 percent / sodium hydroxide; Adogen 464(R) / CH₂Cl₂ / 15 h / 20 °C

2.1: sodium borohydride / tetrahydrofuran; methanol / 2 h

3.1: imidazole / dimethylformamide / 12 h / 20 °C

4.1: n-butyllithium / 1 h / -78 °C

4.2: trimethyl borate / 12 h / -78 - 20 °C

4.3: 78 percent / hydrogen peroxide / 12 h / 20 °C

5.1: 75 percent / potassium carbonate / acetone / 12 h / Heating

6.1: 100 percent / tetra-n-butylammonium fluoride / tetrahydrofuran / 2 h / 0 °C

7.1: SOCl₂ / benzene / 12 h / 20 °C

7.2: dimethylsulfoxide; benzene / 20 °C

8.1: 98 percent / sodium hydroxide / ethanol / 20 h / Heating

9.1: oxalyl chloride / benzene / 2 h / 20 °C

10.1: sodium hydroxide / H₂O; CH₂Cl₂ / 1 h / 20 °C

11.1: B₂H₆*THF; BF₃*Et₂O / tetrahydrofuran / Heating

11.2: 98 percent / hydrochloric acid / H₂O; tetrahydrofuran

12.1: 73 percent / 1-hydroxybenzotriazole hydrate; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride / dimethylformamide / 48 h / 0 °C

13.1: 100 percent / tetra-n-butylammonium fluoride / tetrahydrofuran / 1 h / 0 °C

14.1: Dess-Martin periodinane / 1 h

15.1: NaClO₂; Na₂HPO₄; resorcinol / dimethylsulfoxide / 12 h / 20 °C

16.1: methanol; benzene / 1 h / 20 °C

17.1: POCl₃ / benzene / 12 h / Heating

17.2: 40 percent / sodium borohydride / methanol / 5 h / -78 °C

18.1: hydrogen; hydrochloric acid / Pd/C / ethanol; ethyl acetate; H₂O / 15 h / 20 °C

19.1: triethylamine / 12 h / -78 - 20 °C

20.1: 90 percent / CsF / dimethylsulfoxide / 20 °C

21.1: hydrogen / Pd-C / methanol

22.1: isoamyl nitrite; tetrafluoroboric acid / acetonitrile / 0.5 h / -20 °C

22.2: potassium iodide / acetonitrile; H₂O / 2 h / -45 - 20 °C

23.1: isopropyl magnesium chloride / tetrahydrofuran / 2 h / -60 - -40 °C

23.2: trimethyl borate / tetrahydrofuran / 1 h / -60 - -40 °C

23.3: hydrogen peroxide; sodium hydroxide / tetrahydrofuran; H₂O / 1 h / -20 - 0 °C

24.1: dimethylformamide / 0 °C

25.1: trifluoroacetic acid / tetrahydrofuran

26.1: sodium cyanoborohydride / H₂O

27.1: 80 percent / triflic anhydride; 4-(dimethylamino)pyridine / CH₂Cl₂ / 12 h / 0 - 20 °C

With 1H-imidazole; hydrogenchloride; dmap; sodium hydroxide; sodium chlorite; sodium tetrahydroborate; disodium hydrogenphosphate; tetrafluoroboric acid; n-butyllithium; thionyl chloride; oxalyl dichloride; trifluoromethylsulfonic anhydride; B₂H₆-THF; Adogen 464(R); boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; hydrogen; isopropylmagnesium chloride; sodium cyanoborohydride; potassium carbonate; Dess-Martin periodane; 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; cesium fluoride; trifluoroacetic acid; recorcinol; trichlorophosphate; isopentyl nitrite; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; acetone; acetonitrile; benzene; 10.1: Schotten-Baumann reaction / 14.1: Dess-Martin oxidation / 17.1: Bischler-Napieralski cyclization;

DOI:10.1021/ol0261635

upstream raw materials:

3-[4-((S)-8-{4-[2-(Ethoxycarbonyl-methyl-amino)-ethyl]-2-methoxy-phenoxy}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-phenoxy]-4-isopropoxy-benzoic acid methyl ester

3-benzyloxy-4,5-dimethoxybenzyl alcohol

5-bromo-4-hydroxy-3-methoxybenzaldehyde

Methyl 4-hydroxyphenylacetate

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