Piquindone

Base Information

Chemical Name:Piquindone
CAS No.:78541-97-6
Molecular Formula:C₁₅H₂₂N₂O
Molecular Weight:246.352
Hs Code.:
UNII:O1C9WXY65C
DSSTox Substance ID:DTXSID701016495
Nikkaji Number:J493.165C
Wikipedia:Piquindone
Wikidata:Q7197544
NCI Thesaurus Code:C174777
ChEMBL ID:CHEMBL1191651
Mol file:78541-97-6.mol

Synonyms:2,6-dimethyl-3-ethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-1H-pyrrolo(2,3g)isoquinolin-4-one;3-ethyl-2,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-1H-pyrrolo(2,3g)isoquinolin-4-one;piquindone;Ro 22-1319;Ro 22-1319 hydrochloride, (4aR-trans)-isomer;Ro 22-1319 hydrochloride, (4aS-trans)-isomer;Ro 22-1319 hydrochloride, (trans(+-))-isomer;Ro 22-1319, (4aS-trans)-isomer;Ro 22-1319, (cis-(+-))-isomer;Ro 22-1319, (trans-(-))-isomer;Ro 22-2586;Ro-22-1319;Ro-22-2586

Suppliers and Price of Piquindone

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

TRC
Piquindone
10mg
$ 165.00

Medical Isotopes, Inc.
Piquindone
100 mg
$ 2200.00

American Custom Chemicals Corporation
PIQUINDONE 95.00%
5MG
$ 497.37

Total 6 raw suppliers

Chemical Property of Piquindone

Chemical Property:

Vapor Pressure:3.14E-07mmHg at 25°C
Boiling Point:419°C at 760 mmHg
Flash Point:207.2°C
PSA：36.10000
Density:1.103g/cm³
LogP:2.13010
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:246.173213330
Heavy Atom Count:18
Complexity:343

Purity/Quality:

99% ^*data from raw suppliers

Piquindone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(NC2=C1C(=O)C3CN(CCC3C2)C)C
Isomeric SMILES:CCC1=C(NC2=C1C(=O)[C@@H]3CN(CC[C@H]3C2)C)C
Uses Antipsychotic. Piquindone, is an atypical antipsychotic, acting as a selective D2 receptor antagonist. It is a possible drug for the treatment of schizophrenia. It has also been found to be effective in the treatment of Tourette''s syndrome in numerous clinical studies.

Technology Process of Piquindone

There total 25 articles about Piquindone 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:

: 78477-69-7
1,2,3,4,4a,7-hexahydro-6,8-dimethoxy-2-methylisoquinoline

: 75689-37-1,75689-42-8,78420-92-5,78541-97-6,78541-99-8,87304-99-2
2,6-dimethyl-3-ethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-cis-1H-pyrrolo<2,3-g>isoquinolin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid; H₂O / 90 - 100 °C

2: zinc powder / 3 h / Heating

With zinc; In water; acetic acid;
DOI:10.1021/jm00141a002

Reference yield:

: 78477-69-7
1,2,3,4,4a,7-hexahydro-6,8-dimethoxy-2-methylisoquinoline

: 78541-97-6
(+/-)-2,6-dimethyl-3-ethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-trans-1H-pyrrolo<2,3-g>isoquinolin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid; H₂O / 90 - 100 °C

2: zinc powder / 3 h / Heating

With zinc; In water; acetic acid;
DOI:10.1021/jm00141a002