isopropyl 4-[(3R,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

Base Information

Chemical Name:isopropyl 4-[(3R,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
CAS No.:1262873-14-2
Molecular Formula:C₂₆H₃₈O₆
Molecular Weight:446.584
Hs Code.:

Synonyms:isopropyl 4-[(3R,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

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Chemical Property of isopropyl 4-[(3R,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

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Technology Process of isopropyl 4-[(3R,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

There total 15 articles about isopropyl 4-[(3R,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 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:

: C₃₁H₄₆O₇

: 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

: 1262873-14-2
isopropyl 4-[(3R,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

Guidance literature:: With acetic acid; In tetrahydrofuran; water; at 60 ℃; for 5h; Overall yield = 340 mg;
DOI:10.1021/acsmedchemlett.6b00415

Reference yield:

: 1262872-69-4
{[(1S,2R,3S,5R)-2-allyl-3-[(2-bromo-2-propen-1-yl)oxy]-5-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl]methoxy}(dimethyl)(2-methyl-2-propanyl)silane

: 1262873-14-2
isopropyl 4-[(3R,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

Guidance literature:: Multi-step reaction with 10 steps

1: bis(tri-t-butylphosphine)palladium⁽⁰⁾ / toluene; tetrahydrofuran / 3 h / 80 °C

2: [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro-(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II) / toluene / 3 h / 80 °C

3: sodium hydroxide / ethanol; water / 3 h / 20 °C

4: potassium carbonate / N,N-dimethyl-formamide / 40 °C

5: hydrogen / isopropyl alcohol / 4 h / 20 °C / 760.05 Torr

6: tetrabutyl ammonium fluoride / tetrahydrofuran / 20 °C

7: pyridine-SO₃ complex; N-ethyl-N,N-diisopropylamine / ethyl acetate / 1 h / 0 °C

8: potassium phosphate / tetrahydrofuran / 20 °C

9: (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; dimethylsulfide borane complex / tetrahydrofuran; dichloromethane / 1 h / 20 °C

10: acetic acid / tetrahydrofuran; water / 5 h / 60 °C

With potassium phosphate; bis(tri-t-butylphosphine)palladium⁽⁰⁾; pyridine-SO₃ complex; [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro-(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II); dimethylsulfide borane complex; tetrabutyl ammonium fluoride; hydrogen; potassium carbonate; acetic acid; N-ethyl-N,N-diisopropylamine; sodium hydroxide; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; ethanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol; toluene; 1: |Negishi Coupling / 8: |Horner-Wadsworth-Emmons Olefination;
DOI:10.1021/acsmedchemlett.6b00415

Reference yield:

: ethyl 5-[[(1S,2R,3S,4R)-2-allyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tetrahydropyran-2-yloxy-cyclopentoxy]methyl]hex-5-enoate

: 1262873-14-2
isopropyl 4-[(3R,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

Guidance literature:: Multi-step reaction with 9 steps

1: [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro-(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II) / toluene / 3 h / 80 °C

2: sodium hydroxide / ethanol; water / 3 h / 20 °C

3: potassium carbonate / N,N-dimethyl-formamide / 40 °C

4: hydrogen / isopropyl alcohol / 4 h / 20 °C / 760.05 Torr

5: tetrabutyl ammonium fluoride / tetrahydrofuran / 20 °C

6: pyridine-SO₃ complex; N-ethyl-N,N-diisopropylamine / ethyl acetate / 1 h / 0 °C

7: potassium phosphate / tetrahydrofuran / 20 °C

8: (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; dimethylsulfide borane complex / tetrahydrofuran; dichloromethane / 1 h / 20 °C

9: acetic acid / tetrahydrofuran; water / 5 h / 60 °C

With potassium phosphate; pyridine-SO₃ complex; [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro-(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II); dimethylsulfide borane complex; tetrabutyl ammonium fluoride; hydrogen; potassium carbonate; acetic acid; N-ethyl-N,N-diisopropylamine; sodium hydroxide; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; ethanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol; toluene; 7: |Horner-Wadsworth-Emmons Olefination;
DOI:10.1021/acsmedchemlett.6b00415