2-propanyl 4-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(3R)-3-hydroxy-4-phenoxybutyl]octahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate

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Chemical Name:2-propanyl 4-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(3R)-3-hydroxy-4-phenoxybutyl]octahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate
CAS No.:1262873-69-7
Molecular Formula:C₂₆H₄₀O₆
Molecular Weight:448.6
Hs Code.:

Synonyms:2-propanyl 4-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(3R)-3-hydroxy-4-phenoxybutyl]octahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate

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Chemical Property of 2-propanyl 4-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(3R)-3-hydroxy-4-phenoxybutyl]octahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate

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Technology Process of 2-propanyl 4-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(3R)-3-hydroxy-4-phenoxybutyl]octahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate

There total 21 articles about 2-propanyl 4-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(3R)-3-hydroxy-4-phenoxybutyl]octahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate 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:

: 1262872-82-1
isopropyl 4-[(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(E,3R)-3-hydroxy-4-phenoxy-but-1-enyl]-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate

: 1262873-69-7
2-propanyl 4-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(3R)-3-hydroxy-4-phenoxybutyl]octahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate

Guidance literature:: With hydrogen; palladium on activated charcoal; In isopropyl alcohol; at 20 ℃; for 3.33333h;

Reference yield:

: 58707-52-1
(3aR,4S,5R,6aS)-4-({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-ol

: 1262873-69-7
2-propanyl 4-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(3R)-3-hydroxy-4-phenoxybutyl]octahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate

Guidance literature:: Multi-step reaction with 15 steps

1.1: lithium hexamethyldisilazane / toluene; tetrahydrofuran / 1 h / 20 °C / Inert atmosphere; Cooling with ice

1.2: 3.5 h / -70 - 20 °C

2.1: sodium hydride / mineral oil / 0.08 h / 5 °C / Inert atmosphere

2.2: 2.83 h / 20 °C

3.1: bis(tri-t-butylphosphine)palladium⁽⁰⁾ / toluene; tetrahydrofuran / 2 h / 20 - 80 °C / Inert atmosphere

4.1: bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum / toluene / 18 h / 85 °C / Inert atmosphere

5.1: sodium hydroxide; water / ethanol / 2 h / 20 °C

6.1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 60 °C / Inert atmosphere

7.1: hydrogen / (η4-1,5-cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate / dichloromethane / 3.83 h / 20 °C / Inert atmosphere

8.1: dimethylaluminum chloride / dichloromethane; hexane / 3.67 h / -20 °C / Inert atmosphere

9.1: toluene-4-sulfonic acid / toluene / 1 h / 20 °C / Inert atmosphere

10.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2.83 h / 45 °C / Inert atmosphere

11.1: N-ethyl-N,N-diisopropylamine; sulfur trioxide pyridine complex / ethyl acetate; dimethyl sulfoxide / 0.67 h / 0 °C / Inert atmosphere

12.1: potassium phosphate / tetrahydrofuran / 24 h / 20 °C / Inert atmosphere

13.1: dimethylsulfide borane complex / (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole / toluene; tetrahydrofuran / 0.75 h / 20 °C

14.1: acetic acid / water; tetrahydrofuran / 3.5 h / 60 °C

15.1: hydrogen / palladium on activated charcoal / isopropyl alcohol / 3.33 h / 20 °C

With potassium phosphate; dimethylsulfide borane complex; tetrabutyl ammonium fluoride; water; hydrogen; dimethylaluminum chloride; sulfur trioxide pyridine complex; sodium hydride; potassium carbonate; toluene-4-sulfonic acid; acetic acid; N-ethyl-N,N-diisopropylamine; sodium hydroxide; lithium hexamethyldisilazane; bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum; bis(tri-t-butylphosphine)palladium⁽⁰⁾; (η4-1,5-cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate; palladium on activated charcoal; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; ethanol; hexane; dichloromethane; water; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol; toluene; mineral oil;

Reference yield:

: 69222-61-3
2-oxo-6-syn-(hydroxymethyl)-7-anti-(tetrahydropyran-2-yloxy)-cis-bicyclo<3.3.0>octan-3-one

: 1262873-69-7
2-propanyl 4-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(3R)-3-hydroxy-4-phenoxybutyl]octahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate

Guidance literature:: Multi-step reaction with 17 steps

1.1: 1H-imidazole / N,N-dimethyl-formamide / 3.5 h / 20 °C / Cooling with ice

2.1: diisobutylaluminium hydride / toluene / 1.5 h / -70 °C / Inert atmosphere

3.1: lithium hexamethyldisilazane / toluene; tetrahydrofuran / 1 h / 20 °C / Inert atmosphere; Cooling with ice

3.2: 3.5 h / -70 - 20 °C

4.1: sodium hydride / mineral oil / 0.08 h / 5 °C / Inert atmosphere

4.2: 2.83 h / 20 °C

5.1: bis(tri-t-butylphosphine)palladium⁽⁰⁾ / toluene; tetrahydrofuran / 2 h / 20 - 80 °C / Inert atmosphere

6.1: bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum / toluene / 18 h / 85 °C / Inert atmosphere

7.1: sodium hydroxide; water / ethanol / 2 h / 20 °C

8.1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 60 °C / Inert atmosphere

9.1: hydrogen / (η4-1,5-cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate / dichloromethane / 3.83 h / 20 °C / Inert atmosphere

10.1: dimethylaluminum chloride / dichloromethane; hexane / 3.67 h / -20 °C / Inert atmosphere

11.1: toluene-4-sulfonic acid / toluene / 1 h / 20 °C / Inert atmosphere

12.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2.83 h / 45 °C / Inert atmosphere

13.1: N-ethyl-N,N-diisopropylamine; sulfur trioxide pyridine complex / ethyl acetate; dimethyl sulfoxide / 0.67 h / 0 °C / Inert atmosphere

14.1: potassium phosphate / tetrahydrofuran / 24 h / 20 °C / Inert atmosphere

15.1: dimethylsulfide borane complex / (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole / toluene; tetrahydrofuran / 0.75 h / 20 °C

16.1: acetic acid / water; tetrahydrofuran / 3.5 h / 60 °C

17.1: hydrogen / palladium on activated charcoal / isopropyl alcohol / 3.33 h / 20 °C

With 1H-imidazole; potassium phosphate; dimethylsulfide borane complex; tetrabutyl ammonium fluoride; water; hydrogen; dimethylaluminum chloride; sulfur trioxide pyridine complex; sodium hydride; diisobutylaluminium hydride; potassium carbonate; toluene-4-sulfonic acid; acetic acid; N-ethyl-N,N-diisopropylamine; sodium hydroxide; lithium hexamethyldisilazane; bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum; bis(tri-t-butylphosphine)palladium⁽⁰⁾; (η4-1,5-cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate; palladium on activated charcoal; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; ethanol; hexane; dichloromethane; water; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol; toluene; mineral oil;