3-fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzonitrile

Base Information

Chemical Name:3-fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzonitrile
CAS No.:1352240-50-6
Molecular Formula:C₂₆H₂₃F₂N₃O
Molecular Weight:431.485
Hs Code.:

Synonyms:3-fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzonitrile

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Chemical Property of 3-fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzonitrile

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Technology Process of 3-fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzonitrile

There total 4 articles about 3-fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}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:

: 1352240-49-3
(4aS,5S)-1-(4-fluorophenyl)-4a-methyl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-ol

: 425379-16-4
2-bromo-3-fluorobenzonitrile

: 1352240-50-6
3-fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzonitrile

Guidance literature:: With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); caesium carbonate; In water; toluene; at 80 ℃; for 1h;
DOI:10.1016/j.bmc.2011.10.054

Reference yield:

: 754235-83-1
(4aS,5R)-5-ethynyl-1-(4-fluorophenyl)-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-ol

: 1352240-50-6
3-fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine; hydrogen / tetrahydrofuran / 2 h / 20 °C

2: bis(1,5-cyclooctadiene)diiridium(I) dichloride; bis-diphenylphosphinomethane / dichloromethane / 2 h / 60 °C

3: dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); caesium carbonate / water; toluene / 1 h / 80 °C

With pyridine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); hydrogen; caesium carbonate; bis-diphenylphosphinomethane; In tetrahydrofuran; dichloromethane; water; toluene; 3: Suzuki coupling;
DOI:10.1016/j.bmc.2011.10.054

Reference yield:

: 754235-90-0
(4aS,5R)-5-ethenyl-1-(4-fluorophenyl)-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-ol

: 1352240-50-6
3-fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: bis(1,5-cyclooctadiene)diiridium(I) dichloride; bis-diphenylphosphinomethane / dichloromethane / 2 h / 60 °C

2: dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); caesium carbonate / water; toluene / 1 h / 80 °C

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); caesium carbonate; bis-diphenylphosphinomethane; In dichloromethane; water; toluene; 2: Suzuki coupling;
DOI:10.1016/j.bmc.2011.10.054