Pentaquine

Base Information

Chemical Name:Pentaquine
CAS No.:86-78-2
Molecular Formula:C18H27 N3 O
Molecular Weight:301.432
Hs Code.:
UNII:NH99Y5GNF7
DSSTox Substance ID:DTXSID40235339
Nikkaji Number:J4.265J
Wikidata:Q11084938
NCI Thesaurus Code:C174758
ChEMBL ID:CHEMBL35802
Mol file:86-78-2.mol

Synonyms:8-(5-(isopropylamino)-n-pentylamino)-6- methoxyquinoline;pentaquine;pentaquine phosphate (1:1)

Suppliers and Price of Pentaquine

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

AK Scientific
Pentaquine
1g
$ 863.00

Total 13 raw suppliers

Chemical Property of Pentaquine

Chemical Property:

Vapor Pressure:4.17E-09mmHg at 25°C
Refractive Index:1.5785 (estimate)
Boiling Point:472.7°C at 760 mmHg
Flash Point:239.7°C
PSA：46.18000
Density:1.057g/cm³
LogP:4.28750
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:301.215412493
Heavy Atom Count:22
Complexity:298

Purity/Quality:

97% ^*data from raw suppliers

Pentaquine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2

Technology Process of Pentaquine

There total 14 articles about Pentaquine 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:

: 82350-99-0
AO-295/15484070

: 67-64-1
acetone

: 86-78-2
N-isopropyl-N'-(6-methoxy-[8]quinolyl)-pentanediyldiamine

Guidance literature:: With sodium cyanoborohydride; at 20 ℃; for 24h;
DOI:10.1016/S0960-894X(99)00393-5

Reference yield:

: 85-81-4
6-methoxy-8-nitroquinoline

: 86-78-2
N-isopropyl-N'-(6-methoxy-[8]quinolyl)-pentanediyldiamine

Guidance literature:: Multi-step reaction with 4 steps

1: 100 percent / H₂ / Raney-Ni / 1 h / 20 °C / 2585.74 Torr

2: 65 percent / NEt₃ / acetonitrile / Heating

3: 83 percent / LiAlH₄ / tetrahydrofuran

4: NaCNBH₃ / 24 h / 20 °C

With lithium aluminium tetrahydride; hydrogen; sodium cyanoborohydride; triethylamine; nickel; In tetrahydrofuran; acetonitrile;
DOI:10.1016/S0960-894X(99)00393-5

Reference yield:

: 4280-28-8
3,4-dinitroanisole

: 86-78-2
N-isopropyl-N'-(6-methoxy-[8]quinolyl)-pentanediyldiamine

Guidance literature:: Multi-step reaction with 6 steps

1: 70 percent / Fe, AcOH / 0.2 h / 118 °C

2: 17 percent / As₂O₅, H₃PO₄ / 1 h / 100 °C

3: 100 percent / H₂ / Raney-Ni / 1 h / 20 °C / 2585.74 Torr

4: 65 percent / NEt₃ / acetonitrile / Heating

5: 83 percent / LiAlH₄ / tetrahydrofuran

6: NaCNBH₃ / 24 h / 20 °C

With lithium aluminium tetrahydride; arsenic(V) oxide; phosphoric acid; hydrogen; iron; sodium cyanoborohydride; acetic acid; triethylamine; nickel; In tetrahydrofuran; acetonitrile;
DOI:10.1016/S0960-894X(99)00393-5