Dehydroaripiprazole

Base Information

Chemical Name:Dehydroaripiprazole
CAS No.:129722-25-4
Molecular Formula:C23H25Cl2N3O2
Molecular Weight:446.376
Hs Code.:2933790002
European Community (EC) Number:802-933-6
UNII:2S514OZH3B
DSSTox Substance ID:DTXSID70156225
Nikkaji Number:J2.189.110J
Wikidata:Q27255535
Pharos Ligand ID:NY18V5SF8YZ6
ChEMBL ID:CHEMBL161792
Mol file:129722-25-4.mol

Synonyms:dehydro-aripiprazole;dehydroaripiprazole

Suppliers and Price of Dehydroaripiprazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Dehydro Aripiprazole
5mg
$ 460.00

TRC
DehydroAripiprazole
25mg
$ 550.00

TRC
DehydroAripiprazole
100mg
$ 1705.00

Sigma-Aldrich
Dehydro aripiprazole solution
25mg
$ 1260.00

Sigma-Aldrich
Aripiprazole Related Compound G Pharmaceutical Secondary Standard; Certified Reference Material
100MG
$ 449.00

Sigma-Aldrich
Dehydro aripiprazole solution 1.0?mg/mL in methanol with 5% 1 M HCl, ampule of 1?mL, certified reference material, Cerilliant?
1 mL
$ 203.00

Sigma-Aldrich
Dehydro aripiprazole solution 1.0 mg/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material
053-1ml
$ 197.00

Medical Isotopes, Inc.
Dehydroaripiprazole 99%
5 mg
$ 390.00

Matrix Scientific
7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2(1H)-one 95+%
1g
$ 1647.00

Matrix Scientific
7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2(1H)-one 95+%
250mg
$ 742.00

Total 30 raw suppliers

Chemical Property of Dehydroaripiprazole

Chemical Property:

Boiling Point:654.375 °C at 760 mmHg
PKA:11.22±0.70(Predicted)
Flash Point:349.554 °C
PSA：48.57000
Density:1.282 g/cm³
LogP:4.81900
Storage Temp.:?20°C
Solubility.:Chloroform (Slightly), Methanol (Slightly, Heated)
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:445.1323824
Heavy Atom Count:30
Complexity:597

Purity/Quality:

97% ^*data from raw suppliers

Dehydro Aripiprazole ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,T
Hazard Codes:F,T
Statements: 11-23/24/25-39/23/24/25-52/53
Safety Statements: 16-36/37-45-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)Cl
Uses Dehydro Aripiprazole (Aripiprazole EP Impurity E; Aripiprazole USP Related Compound G) is an impurity of Aripiprazole (A771000), a selective dopamine D2-receptor antagonist with dopamine autoreceptor agonist activity.

Technology Process of Dehydroaripiprazole

There total 5 articles about Dehydroaripiprazole 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: 92.0%

: 129722-12-9
aripiprazole

: 129722-25-4
OPC 14857

Guidance literature:: aripiprazole; With trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; at 20 ℃; for 0.666667h; Inert atmosphere; large scale reaction;

With sodium hydroxide; In tetrahydrofuran; water; pH=12;

Reference yield: 51.0%

: 41202-77-1
1-(2,3-dichlorophenyl)piperazine

: 203395-59-9
7–(4-bromobutoxy)quinolin-2(1H)-one

: 129722-25-4
OPC 14857

Guidance literature:: With triethylamine; sodium iodide; In acetonitrile; for 4h; Heating;
DOI:10.1021/jm940608g

Reference yield:

: 119532-26-2,864512-47-0
1-(2,3-dichlorophenyl)-piperazine hydrochloride

: 129722-25-4
OPC 14857

Guidance literature:: 7–(4-bromobutoxy)quinolin-2(1H)-one; With sodium iodide; In acetonitrile; at 20 ℃; for 0.5h; Heating / reflux;

1-(2,3-dichlorophenyl)-piperazine hydrochloride; With triethylamine; In acetonitrile; at 20 ℃; for 3h; Heating / reflux;