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913614-18-3

913614-18-3 Structure

913614-18-3 Structure
IdentificationBack Directory
[Name]

1-(1-Benzothiophen-4-yl)piperazine hydrochloride
[CAS]

913614-18-3
[Synonyms]

1-benzo[b]thien-4-yl-
Brexpiprazole intermediate
Brexpiprazole Intermediate 2
Brexpiprazole Impurity 32 HCl
1-benzo[b]thien-4-yl-, hydrochloride
1-Benzo[b]thien-4-yl-piperazinel HCl
4-piperazinyl benzothiophene hydrochloride
1-(4-Benzothienyl)piperazine Hydrochloride
PIPERAZINE, 1-BENZO[B]THIEN-4-YL,HYDROCLORIDE
1-Benzo[b] thien-4-yl-piperzine hydrochloride
1-Benzo[b]thien-4-yl-piperazine hydrochloride
Piperazine, 1-benzo[b]thien-4-yl-, hydrochloride
1-Benzo[b]thien-4-ylpiperazine Monohydrochloride
1-(1-benzothiophen-4-yl)piperazine hydrochloride
1-(benzo[b]thiophen-4-yl)piperazine hydrochloride
1-benzo[b]thiophene-4-yl-piperazine hydrochloride
1-(1-benzo[b]thien-4-yl )piperazine hydrochloride
1-benzo[b]thien-4-yl-Piperazine hydrochloride (1:1)
1-(1-Benzothiophene-4-Yl)Piperazine Hydrochloroide -
1-(1-benzothiophene-4-yl)piperazine monohydrochloride
7-(4-chlorobutoxy)-1-(4-chlorobutyl)quinolin-2(1H)-one
Piperazine, 1-benzo[b]thien-4-yl-, hydrochloride (1:1)
Brexpiprazole Impurity 11 1-(benzo[b]thiophen-4-yl)piperazine hydrochloride
[EINECS(EC#)]

812-454-4
[Molecular Formula]

C12H15ClN2S
[MDL Number]

MFCD26743820
[MOL File]

913614-18-3.mol
[Molecular Weight]

254.779
Chemical PropertiesBack Directory
[Melting point ]

>250°C (dec.)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly, Heated), Methanol (Very Slightly)
[form ]

Solid
[color ]

White
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335
[Precautionary statements ]

P261-P271
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

4-Piperazinylbenzothiophene hydrochloride is the raw material for preparing piperazine-substituted benzothiophene, which can be used for the treatment and prevention of mental diseases including central nervous system diseases.
[Synthesis]

1.jpg
Synthesis of 4-(1-piperazinyl)benzo[b]thiophene hydrochloride 4-Chlorobenzo[b]thiophene (5.00 g), piperazine (5.11 g), palladium acetate (II) (2.7 mg), tri-tert-butylphosphonium tetraphenylborate (6.2 mg), sodium tert-butoxide (8.548 g), and xylene (70 ml) were stirred at 120 to 130°C for 5 hours. After the reaction mixture was cooled to room temperature, water was added thereto, and the layers were separated. The xylene layer was washed with water, and then with saline. After addition of activated carbon, the mixture was stirred at room temperature for 30 minutes. After filtration of the mixture, concentrated hydrochloric acid was added to the filtrate, and the resulting mixture was stirred at room temperature for 30 minutes. The precipitated crystals were collected by filtration and dried to obtain compound. Yield: 6.94 g. 1H-NMR (DMSO-d6) δ ppm; 3.30 (4H, br.s), 3.61 (4H, br.s), 6.97 (1H, d, J = 7.8 Hz), 7.32 (1H, br. dd, J = 8.4, 7.8 Hz), 7.53 (1H, d, J = 5.6 Hz), 7.70 (1H, d, J = 8.4 Hz), 7.76 (1H, d, J = 5.6 Hz), 9.37 (1H, br.s).
Spectrum DetailBack Directory
[Spectrum Detail]

1-(1-Benzothiophen-4-yl)piperazine hydrochloride(913614-18-3)1HNMR
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