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CAS 155619-67-3
(1R,2S,3S,6S)-3-(benzyloxy)-2-{2-[(3S)-3-hydroxy-2,6,6-trimethyl-5-oxocyclohex-1-en-1-yl]-2-oxoacetyl}-2-methyl-5-oxo-6-[(phenylsulfanyl)methyl]cyclohexane-1-carbaldehyde
Codes：(XXI)101438-15-a,(XXI)101438-15-b
Application context (from source-drug indications)
乳腺癌Paclitaxel/Encequidar mesylate腺癌Paclitaxel/Encequidar mesylate血管肉瘤Paclitaxel/Encequidar mesylate实体瘤Paclitaxel/Encequidar mesylate
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Paclitaxel/Encequidar mesylatePaclitaxel/Encequidar mesylate | Tier C — Watch / trade | - |
Position in synthesis routes (up/downstream chain)
Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.
6,6,8-Trimethyl-1,4-dioxaspiro[4.5]decan-7-one→6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl trifluoromethanesulfonate→7-ethenyl-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene→tert-butyl({[(7S)-9-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-8,10,10-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-7-yl]oxy})dimethylsilane→2-{6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl}ethan-1-ol→tert-butyldimethyl(2-{6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl}ethoxy)silane→(3aS)-1,3,3-trimethyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole→(7S)-9-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-8,10,10-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-7-ol→2-[(9S)-9-[(tert-butyldimethylsilyl)oxy]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl]ethan-1-ol→2-[(9S)-9-[(tert-butyldimethylsilyl)oxy]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl]acetaldehyde→tert-butyl({[(2E)-3-iodobut-2-en-1-yl]oxy})dimethylsilane→(3E)-4-[(tert-butyldimethylsilyl)oxy]-1-[(9S)-9-[(tert-butyldimethylsilyl)oxy]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl]-3-methylbut-3-en-2-ol→(3E)-5-[(tert-butyldimethylsilyl)oxy]-1-[(9S)-9-[(tert-butyldimethylsilyl)oxy]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl]-3-methylpent-3-en-2-one→1-[(1S,2R,3S,6S)-6-(benzyloxy)-2-(hydroxymethyl)-1-methyl-4-oxo-3-[(phenylsulfanyl)methyl]cyclohexyl]-2-[(9S)-9-[(tert-butyldimethylsilyl)oxy]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl]ethane-1,2-dione→(3E)-5-[(tert-butyldimethylsilyl)oxy]-1-[(9S)-9-[(tert-butyldimethylsilyl)oxy]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl]-1-hydroxy-3-methylpent-3-en-2-one→(3E)-5-[(tert-butyldimethylsilyl)oxy]-1-[(9S)-9-[(tert-butyldimethylsilyl)oxy]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl]-3-methylpent-3-ene-1,2-dione→[(2Z,3E)-4-(benzyloxy)-2-[2-(phenylsulfanyl)ethylidene]but-3-en-1-yl]trimethylsilane→1-[(1S,2R,3S,6S)-6-(benzyloxy)-2-{[(tert-butyldimethylsilyl)oxy]methyl}-1-methyl-4-oxo-3-[(phenylsulfanyl)methyl]cyclohexyl]-2-[(9S)-9-[(tert-butyldimethylsilyl)oxy]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl]ethane-1,2-dione→(1R,2S,3S,6S)-3-(benzyloxy)-2-{2-[(9S)-9-[(tert-butyldimethylsilyl)oxy]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl]-2-oxoacetyl}-2-methyl-5-oxo-6-[(phenylsulfanyl)methyl]cyclohexane-1-carbaldehyde→(1R,2S,3S,6S)-3-(benzyloxy)-2-{2-[(3S)-3-hydroxy-2,6,6-trimethyl-5-oxocyclohex-1-en-1-yl]-2-oxoacetyl}-2-methyl-5-oxo-6-[(phenylsulfanyl)methyl]cyclohexane-1-carbaldehyde
(1R,2S,3S,6S)-3-(benzyloxy)-2-{2-[(3S)-3-hydroxy-2,6,6-trimethyl-5-oxocyclohex-1-en-1-yl]-2-oxoacetyl}-2-methyl-5-oxo-6-[(phenylsulfanyl)methyl]cyclohexane-1-carbaldehyde→(1S,3R,4S,7S,8S,10R,13S)-7-(benzyloxy)-1,2,5,10,13-pentahydroxy-8,12,15,15-tetramethyl-4-[(phenylsulfanyl)methyl]tricyclo[9.3.1.0(3,8)]pentadec-11-en-9-one→(1S,3R,4S,7S,8S,10R,13S)-7-(benzyloxy)-13-[(tert-butyldimethylsilyl)oxy]-1,2,5-trihydroxy-8,12,15,15-tetramethyl-9-oxo-4-[(phenylsulfanyl)methyl]tricyclo[9.3.1.0(3,8)]pentadec-11-en-10-yl acetate→(1S,3R,4S,7S,8S,10R,13S)-7-(benzyloxy)-13-[(tert-butyldimethylsilyl)oxy]-1-hydroxy-8,12,15,15-tetramethyl-2,5,9-trioxo-4-[(phenylsulfanyl)methyl]tricyclo[9.3.1.0(3,8)]pentadec-11-en-10-yl acetate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-bis(benzyloxy)-15-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7S,8S,10R,13S)-7-(benzyloxy)-13-[(tert-butyldimethylsilyl)oxy]-1,2-dihydroxy-8,12,15,15-tetramethyl-5,9-dioxo-4-[(phenylsulfanyl)methyl]tricyclo[9.3.1.0(3,8)]pentadec-11-en-10-yl acetate→(1S,2S,3R,4S,7S,8S,10R,13S)-10-(acetyloxy)-1,7-bis(benzyloxy)-13-[(tert-butyldimethylsilyl)oxy]-8,12,15,15-tetramethyl-5,9-dioxo-4-[(phenylsulfanyl)methyl]tricyclo[9.3.1.0(3,8)]pentadec-11-en-2-yl benzoate→(1S,2S,3R,4S,5R,7S,8S,10R,13S)-10-(acetyloxy)-1,7-bis(benzyloxy)-13-[(tert-butyldimethylsilyl)oxy]-4,5-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.0(3,8)]pentadec-11-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-(acetyloxy)-1,9-bis(benzyloxy)-15-[(tert-butyldimethylsilyl)oxy]-4-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-bis(benzyloxy)-15-{[(2R,3S)-2-(2-ethoxyethoxy)-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate
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