Aripiprazole-d8 (butyl-d8)

Base Information

• Chemical Name: Aripiprazole-d8 (butyl-d8)
• CAS No.: 1089115-04-7
• Molecular Formula: C23H19D8Cl2N3O2
• Molecular Weight: 456.329
• Mol file: 1089115-04-7.mol

Synonyms:7-[1,1,2,2,3,3,4,4-Octadeuterio-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;2(1H)-quinolinone, 7-[[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butyl-1,1,2,2,3,3,4,4-d₈]oxy]-3,4-dihydro-;[2H₈]-Aripiprazole;

Chemical Property of Aripiprazole-d8 (butyl-d8)

Chemical Property:

• Melting Point: 137-139°C
• Boiling Point: 646.184 °C at 760 mmHg
• Flash Point: 344.6 °C
• PSA: 48.30000
• Density: 1.286 g/cm³
• LogP: 4.94730
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly)

Purity/Quality:

98%,99%, ^*data from raw suppliers

Aripiprazole-d8(Butyl-d8) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A deuterated version of Aripiprazole, a selective dopamine D2-receptor antagonist with dopamine autoreceptor agonist activity. Aripiprazole-d8 (Butyl-d8) is deuterated version of Aripiprazole, a selective dopamine D2-receptor antagonist with dopamine autoreceptor agonist activity.

Technology Process of Aripiprazole-d8 (butyl-d8)

There total 5 articles about Aripiprazole-d8 (butyl-d8) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.1%

1-(2,3-dichlorophenyl)-piperazine hydrochloride (119532-26-2,864512-47-0) + C13H8(2)H8ClNO2 → aripiprazole-d8 (1089115-04-7)

Guidance literature:

With potassium carbonate; In acetonitrile; at 100 ℃; for 3h;

Reference yield: 72.0%

1-(2,3-dichlorophenyl)-piperazine hydrochloride (119532-26-2,864512-47-0) + 7-(4-bromobutoxy-d8)-3,4-dihydro-2(1H)-quinolinone (1215336-46-1) → aripiprazole-d8 (1089115-04-7)

Guidance literature:

With potassium carbonate; In ethanol; at 80 ℃; Sealed tube;

DOI:10.1002/jlcr.3298

Reference yield: 67.0%

→ aripiprazole-d8 (1089115-04-7)

Guidance literature:

upstream raw materials:

1-(2,3-dichlorophenyl)-piperazine hydrochloride

7-(4-bromobutoxy-d8)-3,4-dihydro-2(1H)-quinolinone

7-hydroxy-3,4-dihydro-2-(1H)-quinolinone

1-bromo-2,3-dichlorobenzene

Refernces

• 1、 -. "Deuterated aripiprazole as well as preparation method and application thereof". Paragraph 0053; 0063; 0064; 0065. . Retrieved 2018/07/30.