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CAS 108-94-1
cyclohexanone4-CyclohexanoneCyclohexanone
Codes: ESKE-006, (II)270899-2-a, DESV-010, Desvenlafaxine-007, ORLI-002
Application context (from source-drug indications)
Major depressive disorderEsketamine HydrochlorideSuicidal ideationEsketamine HydrochlorideDepressive disorderEsketamine HydrochlorideAnaesthesiaEsketamine HydrochlorideTreatment-resistant depressionEsketamine HydrochloridePainEsketamine HydrochlorideDepressive disorderDesvenlafaxine Succinate HydrateMajor depressive disorderDesvenlafaxine Succinate HydrateDepressionDesvenlafaxine Succinate HydrateDiabetic neuropathyDesvenlafaxine Succinate HydratePainDesvenlafaxine Succinate HydrateFibromyalgiaDesvenlafaxine Succinate HydrateMajor depressive disorderDesvenlafaxineDepressive disorderDesvenlafaxineObesityOrlistatI型高脂蛋白血症OrlistatHypertriglyceridaemiaOrlistat女性不孕OrlistatDiabetesOrlistatObstructive sleep apnoea syndromeOrlistat
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Esketamine Hydrochloride | Tier B — Position early | 2029 |
| Desvenlafaxine Succinate Hydrate | Tier C — Watch / trade | - |
| Desvenlafaxine | Tier C — Watch / trade | - |
| Orlistat | 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.
1-Chloro-2-iodobenzene→4-Cyclohexanone→2-(2-Chlorophenyl)cyclohexanone→(E)-Di-tert-butyl azodiformate→Di-tert-butyl 1-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]hydrazine-1,2-dicarboxylate→(-)-2(S)-Amino-2-(2-chlorophenyl)cyclohexanone→(1S)-2'-Chloro-1-isocyanato-6-methoxy-1,2,3,4-tetrahydro-1,1'-biphenyl→Formaldehyde→(2S)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone
2-[4-(benzyloxy)phenyl]acetic acid→2-[4-(benzyloxy)phenyl]acetyl chloride→2-[4-(benzyloxy)phenyl]-N,N-dimethylacetamide→Cyclohexanone→2-[4-(benzyloxy)phenyl]-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide→1-{1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethyl}cyclohexan-1-ol
2-(4-Hydroxyphenyl)acetic acid→2-(4-Hydroxyphenyl)acetyl chloride→Dimethylamine→2-(4-Hydroxyphenyl)-N,N-dimethylacetamide→2-[4-[tert-Butyl(dimethyl)silyloxy]phenyl]-N,N-dimethylacetamide→Cyclohexanone→2-[4-[tert-Butyl(dimethyl)silyloxy]phenyl]-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol→2-(1-Hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N,N-dimethylacetamide
2-(4-Hydroxyphenyl)acetonitrile→Cyclohexanone→(1-Hydroxycyclohexyl)(4-hydroxyphenyl)acetonitrile→4-[2-Amino-1-(1-hydroxycyclohexyl)ethyl]phenol→2-[4-(Oxan-2-yloxy)phenyl]acetonitrile→[4-(Benzyloxy)phenyl]acetonitrile→2-(1-Hydroxycyclohexyl)-2-[4-(oxan-2-yloxy)phenyl]acetonitrile→[4-(Benzyloxy)phenyl](1-hydroxycyclohexyl)acetonitrile→Iodomethane→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
2-(4-Methoxyphenyl)acetonitrile→2-(4-Hydroxyphenyl)acetonitrile→[4-[(2-Methoxyethoxy)methoxy]phenyl]acetonitrile→Cyclohexanone→(1-Hydroxycyclohexyl)[4-[(2-methoxyethoxy)methoxy]phenyl]acetonitrile→Dimethylamine hydrochloride→Desvenlafaxine-036→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol→(1-Hydroxycyclohexyl)(4-hydroxyphenyl)acetonitrile
2-(4-Methoxyphenyl)acetonitrile→Cyclohexanone→2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile→1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol→1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride→1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride→1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol→1-[2-(Dimethylamino)-1-[4-[(4-methoxybenzyl)oxy]phenyl]ethyl]cyclohexanol→1-{1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethyl}cyclohexan-1-ol→Butanedioic acid 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
1-(4-Hydroxyphenyl)ethanone→1-[4-(Benzyloxy)phenyl]ethanone→1-[4-(benzyloxy)phenyl]-2-bromoethan-1-one→Dimethylamine→1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethanone hydrobromide→1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethanol hydrochloride→2-[4-(Benzyloxy)phenyl]-2-chloro-N,N-dimethylethanamine hydrochloride→Cyclohexanone→1-{1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethyl}cyclohexan-1-ol→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
3-(4-Hydroxyphenyl)propanenitrile→Cyclohexanone→3-Cyclohexylidene-3-(4-hydroxyphenyl)propanenitrile→[2-(4-Hydroxyphenyl)-1-oxaspiro[2.5]octan-2-yl]acetonitrile→4-[2-Amino-1-(1-hydroxycyclohexyl)ethyl]phenol→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
(S)-2-hydroxysuccinic acid→cyclohexanone→(S)-2-(3-oxo-1,4-dioxaspiro[4.5]decan-2-yl)acetic acid→(S)-3-(2-((tert-butyldiphenylsilyl)oxy)ethyl)-1,4-dioxaspiro[4.5]decan-2-one→(S)-methyl 4-((tert-butyldiphenylsilyl)oxy)-2-hydroxybutanoate→ORLI-006→(S)-tert-butyl(2-(oxiran-2-yl)ethoxy)diphenylsilane→1-bromodecane→(R)-1-((tert-butyldiphenylsilyl)oxy)tetradecan-3-ol→benzyl 2,2,2-trichloroacetimidate→(R)-((3-(benzyloxy)tetradecyl)oxy)(tert-butyl)diphenylsilane→(R)-3-(benzyloxy)tetradecan-1-ol→(R)-3-(benzyloxy)tetradecanal→(E)-trimethyl(non-2-en-1-yl)silane→(7R,8S,10R)-10-(benzyloxy)-7-vinylhenicosan-8-ol→(((7R,8S,10R)-10-(benzyloxy)-7-vinylhenicosan-8-yl)oxy)(tert-butyl)dimethylsilane→(2S,3S,5R)-5-(benzyloxy)-3-((tert-butyldimethylsilyl)oxy)-2-hexylhexadecanoic acid→(2S,3S,5R)-5-(benzyloxy)-2-hexyl-3-hydroxyhexadecanoic acid→(3S,4S)-4-((R)-2-(benzyloxy)tridecyl)-3-hexyloxetan-2-one→(3S,4S)-3-hexyl-4-((R)-2-hydroxytridecyl)oxetan-2-one→(S)-2-formamido-4-methylpentanoic acid
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