N-(2-nitrophenethyl)-1-benzylpiperidin-4-amine

Base Information

Chemical Name:N-(2-nitrophenethyl)-1-benzylpiperidin-4-amine
CAS No.:874570-85-1
Molecular Formula:C₂₀H₂₅N₃O₂
Molecular Weight:339.437
Hs Code.:
DSSTox Substance ID:DTXSID401185394

Synonyms:N-(2-nitrophenethyl)-1-benzylpiperidin-4-amine;SCHEMBL4046483;LTOLEFMMYMSLPR-UHFFFAOYSA-N;DTXSID401185394;874570-85-1;N-[2-(2-Nitrophenyl)ethyl]-1-(phenylmethyl)-4-piperidinamine

Suppliers and Price of N-(2-nitrophenethyl)-1-benzylpiperidin-4-amine

Supply Marketing:

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

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Chemical Property of N-(2-nitrophenethyl)-1-benzylpiperidin-4-amine

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:339.19467705
Heavy Atom Count:25
Complexity:398

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(CCC1NCCC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Technology Process of N-(2-nitrophenethyl)-1-benzylpiperidin-4-amine

There total 3 articles about N-(2-nitrophenethyl)-1-benzylpiperidin-4-amine 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: 82.0%

: 50541-93-0
4-amino-1-benzylpiperidine

: 16793-89-8
(2-bromoethyl)-2-nitrobenzene

: 874570-85-1
(1-benzyl-piperidin-4-yl)-[2-(2-nitrophenyl)-ethyl]-amine

Guidance literature:: at 100 ℃; for 18h;

Reference yield:

: 50541-93-0
4-amino-1-benzylpiperidine

: 579-71-5
2-nitrostyrene

: 874570-85-1
(1-benzyl-piperidin-4-yl)-[2-(2-nitrophenyl)-ethyl]-amine

Guidance literature:: In neat (no solvent); at 120 ℃; Inert atmosphere;
DOI:10.1016/j.bmcl.2020.127624

Reference yield:

: 15121-84-3
2-nitro-benzeneethanol

: 874570-85-1
(1-benzyl-piperidin-4-yl)-[2-(2-nitrophenyl)-ethyl]-amine

Guidance literature:: Multi-step reaction with 2 steps

1.1: methanesulfonyl chloride / tetrahydrofuran / 0.17 h / -10 °C / Inert atmosphere

1.2: 1.75 h / 5 - 20 °C / Inert atmosphere

1.3: 17 h / -10 - 20 °C / Inert atmosphere

2.1: neat (no solvent) / 120 °C / Inert atmosphere

With methanesulfonyl chloride; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2020.127624