4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile

Base Information

Chemical Name:4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile
CAS No.:819054-75-6
Molecular Formula:C₂₇H₂₉N₃O₄
Molecular Weight:459.545
Hs Code.:

4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile

Synonyms:4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile

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Chemical Property of 4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile

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Technology Process of 4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile

There total 8 articles about 4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile 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: 55.0%

: 544-92-3
copper(I) cyanide

: 819054-74-5
(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-4-(4-bromophenyl)-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-1H-pyrrolo[3,4-a]pyrrolizin-3-one

: 819054-75-6
4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile

Guidance literature:: In N,N-dimethyl-formamide; for 18h; Heating;
DOI:10.1002/hlca.200490225

Reference yield:

: (3aS,4R,7R,8aS,8bR)-2-Benzo[1,3]dioxol-5-ylmethyl-4-(4-bromo-phenyl)-7-hydroxy-hexahydro-pyrrolo[3,4-a]pyrrolizine-1,3-dione; compound with (3aR,4S,7R,8aR,8bS)-2-benzo[1,3]dioxol-5-ylmethyl-4-(4-bromo-phenyl)-7-hydroxy-hexahydro-pyrrolo[3,4-a]pyrrolizine-1,3-dione

: 819054-75-6
4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile

Guidance literature:: Multi-step reaction with 8 steps

1: 43 percent / DMAP / CH₂Cl₂ / 16 h / 25 °C

2: 94 percent / Li[Et₃BH] / tetrahydrofuran / 0.25 h / -78 °C

3: 94 percent / Bu₄NF / tetrahydrofuran / 1 h / 20 °C

4: 80 percent / CaCl₂ / CH₂Cl₂ / 48 h / 20 °C

5: 87 percent / DMAP / CH₂Cl₂ / 16 h / 25 °C

6: 79 percent / ZnCl₂ / diethyl ether; tetrahydrofuran / 16 h / 20 °C

7: 75 percent / Bu₄NF / tetrahydrofuran / 1 h / 20 °C

8: 55 percent / dimethylformamide / 18 h / Heating

With dmap; tetrabutyl ammonium fluoride; lithium triethylborohydride; calcium chloride; zinc(II) chloride; In tetrahydrofuran; diethyl ether; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/hlca.200490225

Reference yield:

: 819054-71-2
(1R,3aS,4R,7R,8aS,8bR)-2-Benzo[1,3]dioxol-5-ylmethyl-4-(4-bromo-phenyl)-1,7-dihydroxy-octahydro-pyrrolo[3,4-a]pyrrolizin-3-one

: 819054-75-6
4-{(1R,3aS,4R,7R,8aS,8bR)-2-[(1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,8,8a,8b-decahydro-7-hydroxy-1-(1-methylethyl)-3-oxo-1H-pyrrolo[3,4-a]pyrrolizin-4-yl}benzonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: 80 percent / CaCl₂ / CH₂Cl₂ / 48 h / 20 °C

2: 87 percent / DMAP / CH₂Cl₂ / 16 h / 25 °C

3: 79 percent / ZnCl₂ / diethyl ether; tetrahydrofuran / 16 h / 20 °C

4: 75 percent / Bu₄NF / tetrahydrofuran / 1 h / 20 °C

5: 55 percent / dimethylformamide / 18 h / Heating

With dmap; tetrabutyl ammonium fluoride; calcium chloride; zinc(II) chloride; In tetrahydrofuran; diethyl ether; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/hlca.200490225