CAS 104-47-2

2-(4-methoxyphenyl)acetonitrile2-(4-Methoxyphenyl)acetonitrile

Codes: DESV-012, Desvenlafaxine-032

Application context (from source-drug indications)

Depressive disorderDesvenlafaxine Succinate HydrateMajor depressive disorderDesvenlafaxine Succinate HydrateDepressionDesvenlafaxine Succinate HydrateDiabetic neuropathyDesvenlafaxine Succinate HydratePainDesvenlafaxine Succinate HydrateFibromyalgiaDesvenlafaxine Succinate HydrateMajor depressive disorderDesvenlafaxineDepressive disorderDesvenlafaxine

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Desvenlafaxine Succinate Hydrate	Tier C — Watch / trade	-
Desvenlafaxine	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.

Desvenlafaxine Succinate HydrateOptimised routesteps: 5total yield: 6.4 g

DESV-005→4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol→cyclohexanone→2-(4-methoxyphenyl)acetonitrile→2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile→1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol

Desvenlafaxine Succinate HydrateOptimised routesteps: 4total yield: 82 g

4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol→cyclohexanone→2-(4-methoxyphenyl)acetonitrile→2-(4-hydroxyphenyl)acetonitrile→DESV-021

DesvenlafaxineOptimised routesteps: 8total yield: 82g(Desvenlafaxine succinate (API))

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

DesvenlafaxineOptimised routesteps: 10total yield: 73.72g(Desvenlafaxine succinate (API))

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

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