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CAS 219780-74-2
(1S,5S,7R,10S,12S,16S)-12-(benzyloxy)-3,3-di-tert-butyl-16-[(tert-butyldimethylsilyl)oxy]-15,18,18-trimethyl-2,4-dioxa-3-silatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-6(11),14-diene-7,10-diol
Codes：(XXI)101438-35-a,(XXI)101438-35-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.
2-(2-Propynyloxy)tetrahydropyran→Methyl acetaldehyde→6-(oxan-2-yloxy)hex-4-yn-3-ol→(4Z)-6-(oxan-2-yloxy)hex-4-en-3-ol→5-(hydroxymethyl)-2,4,4-trimethyl-3-oxocyclohex-1-en-1-yl 2,2-dimethylpropanoate→(4Z)-6-(oxan-2-yloxy)hex-4-en-3-one→lithium(1+) ion 1-ethoxy-2-methylprop-1-en-1-olate→ethyl 2,2-dimethyl-3-[(oxan-2-yloxy)methyl]-5-oxoheptanoate→2,4,4-trimethyl-5-[(oxan-2-yloxy)methyl]-3-oxocyclohex-1-en-1-yl 2,2-dimethylpropanoate→5-formyl-2,4,4-trimethyl-3-oxocyclohex-1-en-1-yl 2,2-dimethylpropanoate→(5E)-2,4,4-trimethyl-3-oxo-5-{[(triisopropylsilyl)oxy]methylidene}cyclohex-1-en-1-yl 2,2-dimethylpropanoate→(5S)-5-formyl-5-hydroxy-2,4,4-trimethyl-3-oxocyclohex-1-en-1-yl 2,2-dimethylpropanoate→(1S)-1-hydroxy-4,6,6-trimethyl-5-oxo-3-[(triisopropylsilyl)oxy]cyclohex-3-ene-1-carbaldehyde→(1S,5Z)-1-hydroxy-4,6,6-trimethyl-5-[(phenylsulfanyl)methylidene]-3-{[tris(propan-2-yl)silyl]oxy}cyclohex-3-ene-1-carbaldehyde→(1S,5S,12R,13R)-12-(benzyloxy)-3,3-di-tert-butyl-15,18,18-trimethyl-13-(phenylsulfanyl)-2,4-dioxa-3-silatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-6,10,14-trien-16-one→{[(benzyloxy)(6-bromocyclohexa-1,5-dien-1-yl)methoxy]methyl}benzene→(1S,5E)-1-[(S)-{6-[bis(benzyloxy)methyl]cyclohexa-1,5-dien-1-yl}(hydroxy)methyl]-4,6,6-trimethyl-5-[(phenylsulfanyl)methylidene]-3-[(triisopropylsilyl)oxy]cyclohex-3-en-1-ol→{[(4S,5S,9E)-4-{6-[bis(benzyloxy)methyl]cyclohexa-1,5-dien-1-yl}-2,8,10,10-tetramethyl-9-[(phenylsulfanyl)methylidene]-1,3-dioxa-2-boraspiro[4.5]dec-7-en-7-yl]oxy}tris(propan-2-yl))silane→(1S,5S,12R,13R)-12-(benzyloxy)-3,15,18,18-tetramethyl-13-(phenylsulfanyl)-2,4-dioxa-3-boratetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-6,10,14-trien-16-one→(1S,5S,12R,13R,16S)-12-(benzyloxy)-3,3-di-tert-butyl-16-[(tert-butyldimethylsilyl)oxy]-15,18,18-trimethyl-13-(phenylsulfanyl)-2,4-dioxa-3-silatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-6,10,14-triene→(1S,5S,7R,10S,12S,16S)-12-(benzyloxy)-3,3-di-tert-butyl-16-[(tert-butyldimethylsilyl)oxy]-15,18,18-trimethyl-2,4-dioxa-3-silatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-6(11),14-diene-7,10-diol
(1S,5S,7R,10S,12S,16S)-12-(benzyloxy)-3,3-di-tert-butyl-16-[(tert-butyldimethylsilyl)oxy]-15,18,18-trimethyl-2,4-dioxa-3-silatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-6(11),14-diene-7,10-diol→(1S,5S,7R,10S,12S,16S)-3,3-di-tert-butyl-16-[(tert-butyldimethylsilyl)oxy]-15,18,18-trimethyl-2,4-dioxa-3-silatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-6(11),14-diene-7,10,12-triol→(2S,6S,8S,12S,16S,19R)-4,4-di-tert-butyl-8-[(tert-butyldimethylsilyl)oxy]-9,21,21-trimethyl-14-phenyl-3,5,13,15-tetraoxa-4-silapentacyclo[10.7.1.1(6,10).0(2,6).0(16,20)]henicosa-1(20),9-dien-19-ol→(1R,2S,6S,8S,12S,14S,16S,19R,21S)-4,4-di-tert-butyl-8-[(tert-butyldimethylsilyl)oxy]-9,22,22-trimethyl-14-phenyl-3,5,13,15-tetraoxa-4-silahexacyclo[10.7.2.1(6,10).0(1,21).0(2,6).0(16,21)]docos-9-en-19-ol→(1S,3S,5S,6R,10S,11S,12S,16S)-10,12,16-trihydroxy-11,15,18,18-tetramethyl-3-phenyl-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadec-14-en-7-one→(1S,2S,6S,8S,12S,14S,16S,21S)-4,4-di-tert-butyl-8-[(tert-butyldimethylsilyl)oxy]-9,22,22-trimethyl-14-phenyl-3,5,13,15-tetraoxa-4-silahexacyclo[10.7.2.1(6,10).0(1,21).0(2,6).0(16,21)]docos-9-en-19-one→(1S,2S,3S,5S,9S,13S,18S)-5-[(tert-butyldimethylsilyl)oxy]-2,3-dihydroxy-6,19,19-trimethyl-10,12-dioxapentacyclo[7.7.2.1(3,7).0(1,18).0(13,18)]nonadec-6-ene-11,16-dione→(1S,2S,4S,6S,8S,12S,13S,14S)-8-[(tert-butyldimethylsilyl)oxy]-12,14-dihydroxy-9,19,19-trimethyl-4-phenyl-3,5-dioxapentacyclo[11.4.1.1(6,10).0(1,13).0(2,6)]nonadec-9-en-17-one→(1S,3S,5S,10S,11S,12S,16S)-16-[(tert-butyldimethylsilyl)oxy]-11,15,18,18-tetramethyl-3-phenyl-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-6,14-diene-7,10,12-triol→(1R,2S,4S,6S,8S,12S,16S,20S)-8-hydroxy-9,20,21,21-tetramethyl-4,14-diphenyl-3,5,13,15-tetraoxa-14-borapentacyclo[10.7.1.1(6,10).0(2,6).0(16,20)]henicos-9-en-19-one→(1R,2S,4S,6S,8S,12S,16S,20S)-8-[(tert-butyldimethylsilyl)oxy]-9,20,21,21-tetramethyl-4,14-diphenyl-3,5,13,15-tetraoxa-14-borapentacyclo[10.7.1.1(6,10).0(2,6).0(16,20)]henicos-9-en-19-one→(1S,3S,5S,6R,10S,11S,12S,16S)-16-[(tert-butyldimethylsilyl)oxy]-10,12-dihydroxy-11,15,18,18-tetramethyl-3-phenyl-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadec-14-en-7-one→2-Methoxy-1-propene→(1S,3S,5S,6R,10S,11S,16S)-16-[(tert-butyldimethylsilyl)oxy]-10-[(2-methoxypropan-2-yl)oxy]-11,15,18,18-tetramethyl-3-phenyl-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadec-14-ene-7,12-dione→(1S,3S,5S,6R,10S,11S,16S)-16-[(tert-butyldimethylsilyl)oxy]-10-[(2-methoxypropan-2-yl)oxy]-11,15,18,18-tetramethyl-12-oxo-3-phenyl-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-7,14-dien-7-yl trifluoromethanesulfonate
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