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CAS 16420-13-6
dimethylcarbamothioic chloride
Codes: FLUTI-008, Lopix-018
Application context (from source-drug indications)
AsthmaFluticasone Propionate/Formoterol Fumarate HydrateChronic obstructive pulmonary diseaseFluticasone Propionate/Formoterol Fumarate HydrateNasal congestionFluticasone PropionateAllergic rhinitisFluticasone Propionate鼻息肉Fluticasone PropionateRhinitisFluticasone Propionate扁平苔藓Fluticasone PropionateRashFluticasone PropionatePruritusMaralixibat Chloride进行性家族性肝内胆汁淤积症Maralixibat ChlorideAlagille综合征Maralixibat Chloride胆汁淤积Maralixibat ChlorideLiver diseaseMaralixibat Chloride肝内胆汁淤积Maralixibat Chloride
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Fluticasone Propionate/Formoterol Fumarate Hydrate | Tier C — Watch / trade | - |
| Fluticasone Propionate | Tier B — Position early | - |
| Maralixibat Chloride | 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.
Fluticasone Propionate/Formoterol Fumarate HydrateOptimised routesteps: 6total yield: 83.5 g (Fluticasone propionate)
(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid→(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioic S-acid→(6S,8S,9R,10S,11S,13S,14S,16R,17R)-17-acetyl-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one→(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid→dimethylcarbamothioic chloride→(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic dimethylcarbamic thioanhydride→2-(((6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbonyl)thio)acetic acid
(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid→(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioic S-acid→(6S,8S,9R,10S,11S,13S,14S,16R,17R)-17-acetyl-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one→(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid→dimethylcarbamothioic chloride→(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic dimethylcarbamic thioanhydride→2-(((6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbonyl)thio)acetic acid
diethyl 2,2-dibutylmalonate→2,2-dibutylpropane-1,3-diol→1,3,2-Dioxathiane, 5,5-dibutyl-, 2-oxide→1,3,2-Dioxathiane, 5,5-dibutyl-, 2,2-dioxide→4-fluoro-2-(4-methoxybenzyl)benzenethiol→2-butyl-2-((4-fluoro-2-(4-methoxybenzyl)phenylthio)methyl)hexan-1-ol→2-butyl-2-((4-fluoro-2-(4-methoxybenzyl)phenylsulfinyl)methyl)hexan-1-ol→2-butyl-2-((4-fluoro-2-(4-methoxybenzyl)phenylsulfinyl)methyl)hexanal→1-Benzothiepin-4-ol, 3,3-dibutyl-7-fluoro-2,3,4,5-tetrahydro-5-(4-methoxyphenyl)-, 1-oxide, (4R,5R)→1-Benzothiepin-4-ol, 3,3-dibutyl-7-fluoro-2,3,4,5-tetrahydro-5-(4-methoxyphenyl)-, 1,1-dioxide, (4R,5R)→1-Benzothiepin-4-ol, 3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-5-(4-methoxyphenyl)-, 1,1-dioxide, (4R,5R)-rel→1-Benzothiepin-4-ol, 3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-5-(4-hydroxyphenyl)-, 1,1-dioxide, (4R,5R)→1,4-bis(chloromethyl)benzene→1-Benzothiepin-4-ol, 3,3-dibutyl-5-[4-[[4-(chloromethyl)phenyl]methoxy]phenyl]-7-(dimethylamino)-2,3,4,5-tetrahydro-, 1,1-dioxide, (4R,5R)→4-fluorophenol→1-(chloromethyl)-4-methoxybenzene→4-fluoro-2-(4-methoxybenzyl)phenol→dimethylcarbamothioic chloride→O-4-fluoro-2-(4-methoxybenzyl)phenyl dimethylcarbamothioate
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