N-(4-Nitrobenzyl)spiperone

Base Information

Chemical Name:N-(4-Nitrobenzyl)spiperone
CAS No.:138091-80-2
Molecular Formula:C₃₀H₃₁FN₄O₄
Molecular Weight:530.599
Hs Code.:
ChEMBL ID:CHEMBL337181
DSSTox Substance ID:DTXSID50929979
Nikkaji Number:J458.951C
Wikidata:Q82905162
Mol file:138091-80-2.mol

Synonyms:N-(4-nitrobenzyl)spiperone;N-(4-nitrobenzyl)spiperone hydrochloride;N-(p-nitrobenzyl)spiperone;PNBS-4

Suppliers and Price of N-(4-Nitrobenzyl)spiperone

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

Total 2 raw suppliers

Chemical Property of N-(4-Nitrobenzyl)spiperone

Chemical Property:

PSA：89.68000
LogP:5.50190
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:530.23293364
Heavy Atom Count:39
Complexity:852

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-])CCCC(=O)C5=CC=C(C=C5)F

Technology Process of N-(4-Nitrobenzyl)spiperone

There total 6 articles about N-(4-Nitrobenzyl)spiperone 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:

: 8-{3-[2-(4-Fluoro-phenyl)-[1,3]dioxolan-2-yl]-propyl}-3-(4-nitro-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

: 138091-80-2
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-nitro-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Guidance literature:: With hydrogenchloride; In ethanol; for 0.25h; Heating;
DOI:10.1021/jm00081a002

Reference yield:

: 138091-52-8
8-(tert-Butoxycarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

: 138091-80-2
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-nitro-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) sodium hydride (60percent dispersion in mineral oil) / 1.) THF, RT, 5 min, 2.) RT, 4 h

2: 91 percent / trifluoroacetic acid / 2 h / Ambient temperature

3: KI, triethylamine / acetonitrile / 20 h / Heating

4: aq. 3 N HCl / ethanol / 0.25 h / Heating

With hydrogenchloride; sodium hydride; triethylamine; trifluoroacetic acid; potassium iodide; In ethanol; acetonitrile;
DOI:10.1021/jm00081a002

Reference yield:

: 138091-54-0
3-(4-Nitro-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

: 138091-80-2
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-nitro-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: KI, triethylamine / acetonitrile / 20 h / Heating

2: aq. 3 N HCl / ethanol / 0.25 h / Heating

With hydrogenchloride; triethylamine; potassium iodide; In ethanol; acetonitrile;
DOI:10.1021/jm00081a002