3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Base Information

Chemical Name:3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CAS No.:93801-18-4
Molecular Formula:C31H35FN4O2
Molecular Weight:514.63
Hs Code.:
DSSTox Substance ID:DTXSID70239663
Nikkaji Number:J532.692C
Wikidata:Q27216279
Mol file:93801-18-4.mol

Synonyms:N-(4-aminophenethyl)spiperone;N-(4-aminophenethyl)spiroperidol;NAPES;NAPS

Suppliers and Price of 3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

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
N-(p-Aminophenethyl)spiperone
5mg
$ 545.00

Medical Isotopes, Inc.
N-(p-Aminophenethyl)spiperone
1 mg
$ 875.00

Biosynth Carbosynth
N-(p-Aminophenethyl)spiperone
25 mg
$ 3000.00

Biosynth Carbosynth
N-(p-Aminophenethyl)spiperone
5 mg
$ 850.00

Biosynth Carbosynth
N-(p-Aminophenethyl)spiperone
10 mg
$ 1500.00

Biosynth Carbosynth
N-(p-Aminophenethyl)spiperone
2 mg
$ 413.00

Biosynth Carbosynth
N-(p-Aminophenethyl)spiperone
1 mg
$ 227.20

American Custom Chemicals Corporation
N-(PARA-AMINOPHENETHYL)SPIPERONE 95.00%
1MG
$ 446.25

American Custom Chemicals Corporation
N-(PARA-AMINOPHENETHYL)SPIPERONE 95.00%
10MG
$ 1732.50

AK Scientific
N-(4-Aminophenethyl)spiroperidol
10mg
$ 2075.00

Total 5 raw suppliers

Chemical Property of 3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Chemical Property:

Appearance/Colour:Off-white to pale-yellow solid
Vapor Pressure:1.49E-21mmHg at 25°C
Melting Point:106-108°C
Refractive Index:1.653
Boiling Point:736.5 °C at 760 mmHg
Flash Point:399.2 °C
PSA：69.88000
Density:1.27 g/cm³
LogP:5.27640
Storage Temp.:-20°C Freezer
Solubility.:Acetone, Chloroform, Dichloromethane, DMSO
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:514.27440453
Heavy Atom Count:38
Complexity:779

Purity/Quality:

97% ^*data from raw suppliers

N-(p-Aminophenethyl)spiperone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCC4=CC=C(C=C4)N)CCCC(=O)C5=CC=C(C=C5)F

Technology Process of 3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

There total 8 articles about 3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 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: 66.0%

: 1017803-45-0
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-[4-(N-tert-butoxycarbonyl)aminophenethyl]-1,3,8-triazaspiro[4.5]decan-4-one

: 93801-18-4
[125I]-N-(p-Aminophenethyl)spiroperidol

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 3h;
DOI:10.1021/acs.jmedchem.8b01249

Reference yield: 53.0%

: 136247-18-2
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-[2-(4-nitro-phenyl)-ethyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

: 93801-18-4
[125I]-N-(p-Aminophenethyl)spiroperidol

Guidance literature:: With hydrogenchloride; iron; In ethanol; for 30h;
DOI:10.1021/jm00115a012

Reference yield:

: 749-02-0
spiperone

: 93801-18-4
[125I]-N-(p-Aminophenethyl)spiroperidol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.3 g / KOH, K₂CO₃, (n-Bu)4NHSO₄ / toluene / 2 h / 90 °C

2: 53 percent / conc. aq. HCl, Fe / ethanol / 30 h

With hydrogenchloride; potassium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; iron; potassium carbonate; In ethanol; toluene;
DOI:10.1021/jm00115a012