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CAS 2730017-91-9
[(3R,4S)-4-(Benzyloxy)-2-bromo-3-methyl-3-(prop-2-en-1-yl)cyclohex-1-en-1-yl]methanol
Codes: (III)101438-71-a
Application context (from source-drug indications)
Breast cancerPaclitaxel/Encequidar mesylateAdenocarcinomaPaclitaxel/Encequidar mesylateAngiosarcomaPaclitaxel/Encequidar mesylateSolid tumourPaclitaxel/Encequidar mesylatePancreatic cancerPaclitaxelNon-small cell lung cancerPaclitaxelHodgkin's diseasePaclitaxelSeminomaPaclitaxelOvarian cancerPaclitaxelBreast cancerPaclitaxel
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Paclitaxel/Encequidar mesylate | Tier C — Watch / trade | - |
| Paclitaxel | Tier B — Position early | - |
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.
(2R,3S)-3-Hydroxy-2-methyl-2-(prop-2-en-1-yl)cyclohexan-1-one→(2R,3S)-3-(Benzyloxy)-2-methyl-2-(prop-2-en-1-yl)cyclohexan-1-one→[(3R,4S)-4-(Benzyloxy)-2-bromo-3-methyl-3-(prop-2-en-1-yl)cyclohex-1-en-1-yl]methanol→([[(1S,2R)-3-Bromo-2,4-dimethyl-2-(prop-2-en-1-yl)cyclohex-3-en-1-yl]oxy]methyl)benzene→(4S,5S)-4-[(1S,6S)-6-(Benzyloxy)-2-bromo-1,3-dimethylcyclohex-2-en-1-yl]-2,2-dimethyl-5-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)-1,3-dioxolane→[(1R,6S)-6-(Benzyloxy)-2-bromo-1,3-dimethylcyclohex-2-en-1-yl]acetaldehyde→([2-[(1R,6S)-6-(Benzyloxy)-2-bromo-1,3-dimethylcyclohex-2-en-1-yl]ethenyl]oxy)(tert-butyl)dimethylsilane→(2S)-[(1S,6S)-6-(Benzyloxy)-2-bromo-1,3-dimethylcyclohex-2-en-1-yl][(2-methoxypropan-2-yl)oxy]acetaldehyde→7-Iodo-6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-ene→(5S,6S)-5-(Benzyloxy)-6-[(4S,5S)-2,2-dimethyl-5-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)-1,3-dioxolan-4-yl]-2,6-dimethylcyclohex-1-ene-1-carbaldehyde→(5S,6S)-5-(Benzyloxy)-6-[(4S,5S)-2,2-dimethyl-5-(2,6,6-trimethyl-5-oxocyclohex-1-en-1-yl)-1,3-dioxolan-4-yl]-2,6-dimethylcyclohex-1-ene-1-carbaldehyde→(3aS,8S,9S,13S,13aS,13bS)-13-(Benzyloxy)-2,2,5,10,13a,14,14-heptamethyl-6,7,9,11,12,13,13a,13b-octahydro-2H-4,8-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxole-8,9(3aH)-diol→(1S,5S,10S,11S,12S,16S)-10-(Benzyloxy)-7,11,14,14,18,21,21-heptamethyl-2,4,13,15-tetraoxapentacyclo[15.3.1.0(1,5).0(6,11).0(12,16)]henicosa-6,17-dien-3-one
(2R,3S)-3-Hydroxy-2-methyl-2-(prop-2-en-1-yl)cyclohexan-1-one→(2R,3S)-3-(Benzyloxy)-2-methyl-2-(prop-2-en-1-yl)cyclohexan-1-one→[(3R,4S)-4-(Benzyloxy)-2-bromo-3-methyl-3-(prop-2-en-1-yl)cyclohex-1-en-1-yl]methanol→([[(1S,2R)-3-Bromo-2,4-dimethyl-2-(prop-2-en-1-yl)cyclohex-3-en-1-yl]oxy]methyl)benzene→(4S,5S)-4-[(1S,6S)-6-(Benzyloxy)-2-bromo-1,3-dimethylcyclohex-2-en-1-yl]-2,2-dimethyl-5-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)-1,3-dioxolane→[(1R,6S)-6-(Benzyloxy)-2-bromo-1,3-dimethylcyclohex-2-en-1-yl]acetaldehyde→([2-[(1R,6S)-6-(Benzyloxy)-2-bromo-1,3-dimethylcyclohex-2-en-1-yl]ethenyl]oxy)(tert-butyl)dimethylsilane→(2S)-[(1S,6S)-6-(Benzyloxy)-2-bromo-1,3-dimethylcyclohex-2-en-1-yl][(2-methoxypropan-2-yl)oxy]acetaldehyde→7-Iodo-6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-ene→(5S,6S)-5-(Benzyloxy)-6-[(4S,5S)-2,2-dimethyl-5-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)-1,3-dioxolan-4-yl]-2,6-dimethylcyclohex-1-ene-1-carbaldehyde→(5S,6S)-5-(Benzyloxy)-6-[(4S,5S)-2,2-dimethyl-5-(2,6,6-trimethyl-5-oxocyclohex-1-en-1-yl)-1,3-dioxolan-4-yl]-2,6-dimethylcyclohex-1-ene-1-carbaldehyde→(3aS,8S,9S,13S,13aS,13bS)-13-(Benzyloxy)-2,2,5,10,13a,14,14-heptamethyl-6,7,9,11,12,13,13a,13b-octahydro-2H-4,8-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxole-8,9(3aH)-diol→(1S,5S,10S,11S,12S,16S)-10-(Benzyloxy)-7,11,14,14,18,21,21-heptamethyl-2,4,13,15-tetraoxapentacyclo[15.3.1.0(1,5).0(6,11).0(12,16)]henicosa-6,17-dien-3-one
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