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CAS 219780-79-7

(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

Codes:(XXVI)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)

DrugTierExpiry
Paclitaxel/Encequidar mesylatePaclitaxel/Encequidar mesylateTier 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.

Paclitaxel/Encequidar mesylate优化路线steps: 13total yield: /
(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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