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Basic Information
| CAS No.: | 960203-27-4 |
|---|---|
| Name: | Vortioxetine hydrobromide |
| Article Data: | 52 |
| Molecular Structure: | |
|
|
|
| Formula: | C18H23BrN2S |
| Molecular Weight: | 379.364 |
| Synonyms: | Lu AA 21004 hydrobromide; Vortioxetine hydrobromide |
| PSA: | 40.57000 |
| LogP: | 5.21610 |
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Synthetic route
- 508233-74-7
vortioxetine
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| With hydrogen bromide In water; isopropyl alcohol for 0.166667h; Concentration; Solvent; Sonication; | 96% |
| With hydrogen bromide In ethyl acetate at 20℃; for 1h; | 96% |
| With hydrogen bromide In Isopropyl acetate at 30 - 40℃; for 0.666667h; Time; Temperature; Solvent; Sealed tube; | 96.6% |
- 110-85-0
piperazine
- 960203-41-2
(2′-bromophenyl)(2,4-dimethylphenyl)sulfane
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: piperazine; 1-((2-bromophenyl)sulfanyl)-2,4-dimethylbenzene With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 105 - 115℃; Inert atmosphere; Stage #2: With hydrogen bromide at 20 - 40℃; Concentration; | 90.2% |
| With copper(l) iodide; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 80℃; for 10h; | 84.6% |
- 43204-63-3
bis(2-bromoethyl)amine hydrobromide
- 1019453-85-0
2-(2,4-dimethylphenylsulphanyl)benzeneamine
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| at 100 - 180℃; for 9h; Temperature; | 89.6% |
- 960203-28-5
Vortioxetine hydrochloride
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: Vortioxetine hydrochloride With sodium hydroxide In dichloromethane; water at 25 - 30℃; Stage #2: With hydrogen bromide In Isopropyl acetate; water | 88% |
| With hydrogen bromide In water; ethyl acetate pH=1 - 3; Solvent; | 79.3% |
| Stage #1: Vortioxetine hydrochloride With sodium hydroxide In dichloromethane; water at 25 - 30℃; Stage #2: With hydrogen bromide; acetic acid In acetonitrile at 50℃; for 1h; Solvent; | 75% |
- 110-85-0
piperazine
- 4214-28-2
1-iodo-2,4-dimethylbenzene
- 6320-02-1
2-bromothiophenol
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: piperazine; 1-iodo-2,4-dimethylbenzene; o-bromothiophenol With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 100℃; for 1h; Inert atmosphere; Stage #2: With hydrogen bromide In toluene at 60℃; Time; | 84.3% |
...Expand
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| With p-cresol; hydrogen bromide; acetic acid at 70 - 75℃; for 2h; | 84.2% |
- 960203-42-3
4-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| With hydrogen bromide In methanol; water at 20 - 60℃; for 1h; | 83.5% |
| With water; hydrogen bromide In methanol for 2h; Reflux; | 81% |
| With hydrogen bromide In isopropyl alcohol at 50℃; for 1.5h; Temperature; | 79% |
- 110-85-0
piperazine
- 583-55-1
1-Bromo-2-iodobenzene
- 13616-82-5
2,4-dimethyl-thiophenol
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: piperazine; 1-Bromo-2-iodobenzene; 2,4-dimethyl-thiophenol With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate for 6h; Reflux; Inert atmosphere; Stage #2: With hydrogen bromide In toluene at 60℃; | 81.5% |
| Stage #1: 1-Bromo-2-iodobenzene; 2,4-dimethyl-thiophenol With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene for 5h; Inert atmosphere; Reflux; Stage #2: piperazine With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate for 2h; Reflux; Stage #3: With hydrogen bromide In water at 70℃; for 0.5h; | 75% |
| Stage #1: piperazine With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene for 0.833333h; Inert atmosphere; Stage #2: 1-Bromo-2-iodobenzene In toluene for 0.5h; Inert atmosphere; Stage #3: 2,4-dimethyl-thiophenol Further stages; | 46.3% |
| Stage #1: piperazine With sodium t-butanolate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 0.5h; Inert atmosphere; Stage #2: 1-Bromo-2-iodobenzene; 2,4-dimethyl-thiophenol at 20℃; for 6h; Reflux; Stage #3: With hydrogen bromide In toluene Product distribution / selectivity; | |
| Stage #1: 1-Bromo-2-iodobenzene; 2,4-dimethyl-thiophenol With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene for 5h; Inert atmosphere; Reflux; Stage #2: piperazine for 2h; Solvent; Inert atmosphere; Reflux; |
...Expand
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: 1-[2-(2,4-dimethyl-phenylsulfanyl)phenyl]piperazin-2-one hydrochloride With dimethylsulfide borane complex In dichloromethane at 35 - 45℃; Stage #2: With hydrogen bromide In water; iso-butanol at 25 - 70℃; | 80% |
| Multi-step reaction with 2 steps 1: dimethylsulfide borane complex / tetrahydrofuran / -10 - 60 °C 2: hydrogen bromide / water; ethyl acetate / 25 - 35 °C View Scheme |
- 821-48-7
bis-(2-chloroethyl)amine hydrochloride
- 1019453-85-0
2-(2,4-dimethylphenylsulphanyl)benzeneamine
- 960203-27-4
Vortioxetine hydrobromide
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: bis-(2-chloroethyl)amine hydrochloride; 2-(2,4-dimethylphenylsulphanyl)benzeneamine In toluene Reflux; Inert atmosphere; Stage #2: With hydrogen bromide In water pH=1 - 2; Solvent; | 78.3% |
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