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913611-97-9

Basic Information
CAS No.: 913611-97-9
Name: Brexpiprazole
Article Data: 36
Molecular Structure:
Molecular Structure of 913611-97-9 (Brexpiprazole)
Formula: N/A
Molecular Weight: 433.574
Synonyms: Brexpiprazole
Density: 1.245±0.06 g/cm3(Predicted)
Melting Point: 179 - 181oC
Boiling Point: 675.2±55.0 °C(Predicted)
Synthetic route

brexpiprazole hydrochloride

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 20 - 80℃; for 2h;96.1%

7-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butoxy]-1H-quinolin-2-one hydrochloride

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water for 2h;96%
Stage #1: 7-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butoxy]-1H-quinolin-2-one hydrochloride In ethanol; water Reflux;
Stage #2: With pyrographite In ethanol; water for 0.5h; Reflux;
Stage #3: With sodium hydride In ethanol; water for 0.5h; Reflux;
3.76 kg
With pyrographite In ethanol; water for 0.5h; Reflux; Large scale;3.76 kg

7-(4-chlorobutoxy)quinoline-2(1H)-one

1-(benzo[b]thiophen-4-yl)piperazine hydrochloride

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
Stage #1: 1-(benzo[b]thiophen-4-yl)piperazine hydrochloride With sodium carbonate In methanol; water at 50℃; for 0.5h;
Stage #2: 7-(4-chlorobutoxy)quinoline-2(1H)-one In methanol; water at 70℃; for 16h;
95.5%
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 70℃; for 10h;84%
With potassium carbonate In ethanol; water at 40 - 50℃;82.3%
66490-33-3

4-chlorobenzothiophene

7-(4-(piperazin-1-yl)butoxy)quinolin-2(1H)-one

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
With C48H55ClN2Pd; sodium t-butanolate In 1,2-dimethoxyethane at 20℃; for 16h; Inert atmosphere; Sealed tube;95%
767-68-0

4-bromo-1,3-benzothiazole

7-(4-(piperazin-1-yl)butoxy)quinolin-2(1H)-one dihydrochloride

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
Stage #1: 4-bromobenzo[d]thiazole With isopropylmagnesium chloride In tetrahydrofuran at -5℃; for 2h;
Stage #2: 7-(4-(piperazin-1-yl)butoxy)quinolin-2(1H)-one dihydrochloride In tetrahydrofuran for 3h;
91.5%
66490-33-3

4-chlorobenzothiophene

7-((4-piperazine-1-yl)butoxy)-1H-quinolin-2-one hydrochloride

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
With palladium diacetate; potassium carbonate; triphenylphosphine In 5,5-dimethyl-1,3-cyclohexadiene for 5h; Solvent; Reagent/catalyst; Inert atmosphere; Reflux;90%
17402-83-4

benzo[B]thiophen-4-ylamine

7-(4-(bis-(2-chloroethyl)amino)butoxy)quinolin-2(1H)-one

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
In butan-1-ol at 25 - 125℃;90%
With potassium carbonate; potassium iodide In 5,5-dimethyl-1,3-cyclohexadiene at 130 - 140℃;78.5%

1-(benzo[b]thiophen-4-yl)piperazine hydrochloride

C14H17NO3

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
With sodium carbonate In acetonitrile for 23h; Reflux;88.3%

1-(benzo[b]thiophen-4-yl)piperazine dihydrochloride

203395-59-9

7–(4-bromobutoxy)quinolin-2(1H)-one

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
Stage #1: 1-(benzo[b]thiophen-4-yl)piperazine dihydrochloride With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere;
Stage #2: 7–(4-bromobutoxy)quinolin-2(1H)-one With potassium iodide In N,N-dimethyl-formamide at 100℃; for 4h; Inert atmosphere;
85%
177735-30-7

benzo[b]thiophen-4-ylboronic acid

7-(4-(piperazin-1-yl)butoxy)quinolin-2(1H)-one

913611-97-9

Brexpiprazole

Conditions
ConditionsYield
With copper diacetate; triethylamine In dichloromethane at 0 - 35℃; Reagent/catalyst; Solvent; Temperature;83.3%
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    Brexpiprazole Basic information Description References Product Name: Brexpiprazole Synonyms: 7-(4-(4-(Benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one;Brexpiprazole impurity a;CS-1678;OPC 34712; OPC34712; OPC-34712;Brexpiprazole(O

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    Product Name: Brexpiprazole Synonyms: Brexpiprazole(OPC34712);7-{4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-2(1H)-one;Brexpiprazole;OPC-34712;7-[4-(4-benzo[b]thien-4-yl-1-piperazinyl)butoxy]- 2(1H)-Quinolinone;7-[4-[4-(1-Benzothio

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    Business Type:Lab/Research institutions

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    AFINE CHEMICALS LIMITED is specialized in the fine chemicals and pharmaceuticals and we have enjoyed great popularity in world markets. Since 2005, we have been rapidly growing to

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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    Product name: Brexpiprazole CAS No.:913611-97-9 Molecule Formula:C25H27N3O2S Molecule Weight:433.57 Purity: 99.0% Package: 25kg/drum Description:White crystalline powder Manufacture Standards:Enterprise Standard TE

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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

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    Our Advantages A. International Top level TechnologyOur company owned biomedicine experts are famous at home and abroad with rich experience in research and development in the field of efficient chiral functional molecules research and development an

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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

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     China (Mainland)  |  Contact Details

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