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913611-97-9

  • Product NameBrexpiprazole
  • Molecular Weight433.574
  • Purity99%
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  • CasNo： 913611-97-9
  • Purity： 99%

Reputable Manufacturer Supply Top Purity Brexpiprazole 913611-97-9 with Competitive Price

  • Molecular Formula:C25H27N3O2S
  • Molecular Weight:433.574
  • Melting Point:179 - 181oC 
  • Boiling Point:675.2±55.0 °C(Predicted) 
  • PKA:11.22±0.70(Predicted) 
  • Density:1.245±0.06 g/cm3(Predicted) 

913611-97-9 Relevant articles

Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone

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Paragraph 0028; 0070-0073, (2021/05/05)

The invention belongs to the field of ch...

Method for preparing

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Paragraph 0033-0036, (2021/05/12)

The invention relates to a preparation m...

Large-steric-hindrance N-heterocyclic carbene palladium complex, preparation method and application thereof, and synthesis method of sonidegib based on large-steric-hindrance N-heterocyclic carbene palladium complex

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Paragraph 0195; 0208-0210, (2021/01/24)

The invention belongs to the technical f...

Novel method for preparing new antipsychotic drug brexpiprazole

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The invention discloses a new electroche...

913611-97-9 Process route

7-(4-chlorobutoxy)quinoline-2(1H)-one
913613-82-8

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

1-(benzo[b]thiophen-4-yl)piperazine hydrochloride
1677681-05-8,913614-18-3

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

Brexpiprazole
913611-97-9

Brexpiprazole

Conditions
Conditions Yield
1-(benzo[b]thiophen-4-yl)piperazine hydrochloride; With sodium carbonate; In methanol; water; at 50 ℃; for 0.5h;
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%
In water; for 9h; Reflux;
55%
1-(benzo[b]thiophen-4-yl)piperazine hydrochloride; With potassium carbonate; In N,N-dimethyl-formamide; at 30 - 40 ℃; for 0.5h;
7-(4-chlorobutoxy)quinoline-2(1H)-one; With potassium iodide; In N,N-dimethyl-formamide; at 90 - 100 ℃; for 2h;
14.30 g
1-(benzo[b]thiophen-4-yl)piperazine hydrochloride; With potassium carbonate; In ethanol; water; at 50 ℃; Large scale;
7-(4-chlorobutoxy)quinoline-2(1H)-one; In ethanol; water; for 9h; Reflux; Large scale;
3.76 kg
1-(benzo[b]thiophen-4-yl)piperazine hydrochloride; With potassium carbonate; In N,N-dimethyl-formamide; at 25 - 35 ℃; for 0.5h;
7-(4-chlorobutoxy)quinoline-2(1H)-one; In N,N-dimethyl-formamide; at 80 - 90 ℃; for 3h; Reagent/catalyst; Temperature;
 
With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 - 90 ℃; Large scale;
 
With sodium hydrogencarbonate; sodium iodide; In N,N-dimethyl-formamide; at 90 - 95 ℃; for 7h;
120 g
With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 ℃; for 2h;
 
With potassium carbonate; potassium iodide; at 70 - 80 ℃; Reagent/catalyst;
 
7-(4-chlorobutoxy)quinoline-2(1H)-one
913613-82-8

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

1-benzo[b]thiophen-4-ylpiperazine hydrochloride
846038-18-4

1-benzo[b]thiophen-4-ylpiperazine hydrochloride

Brexpiprazole
913611-97-9

Brexpiprazole

Conditions
Conditions Yield
With 4-methyl-morpholine; In ethanol; water; for 10h; Reagent/catalyst; Reflux;
70.4%
1-benzo[b]thiophen-4-ylpiperazine hydrochloride; With potassium carbonate; In N,N-dimethyl-formamide; at 25 - 50 ℃; for 0.5h;
7-(4-chlorobutoxy)quinoline-2(1H)-one; With potassium iodide; In N,N-dimethyl-formamide; at 10 - 95 ℃; Temperature;
63.98%
With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide;
 
With potassium carbonate; In ethanol; water; at 80 - 85 ℃; for 15h; Solvent; Inert atmosphere;
987 g
With sodium carbonate; In ethanol; for 12h; Solvent; Reflux;
 

913611-97-9 Upstream products

  • 913613-82-8
    913613-82-8

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

  • 1677681-05-8
    1677681-05-8

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

  • 70500-72-0
    70500-72-0

    7-hydroxy-1H-quinolin-2-one

  • 66490-33-3
    66490-33-3

    4-chlorobenzothiophene

913611-97-9 Downstream products

  • 1427046-45-4
    1427046-45-4

    carbonic acid 7-[4-(4-benzo[b]thiophen-4-ylpiperazin-1-yl)butoxy]-2-oxo-2H-quinolin-1-ylmethyl ester 4-nitrophenyl ester

  • 1427049-01-1
    1427049-01-1

    7-[4-(4-benzo[b]thiophene-4-yl-piperazin-1-yl)butoxy]quinolin-2-yloxymethyl cyclohexyl carbonate

  • 1427049-18-0
    1427049-18-0

    carbonic acid 7-[4-(4-benzo[b]thiophen-4-ylpiperazin-1-yl)butoxy]-2-oxo-2H-quinolin-1-ylmethyl ester cyclohexyl ester hydrochloride

  • 1427044-88-9
    1427044-88-9

    7-[4-(4-benzo[b]thiophene-4-ylpiperazin-1-yl)butoxy]-2-benzyloxymethoxyquinoline

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