1-(4-Ethoxybenzyl)piperazine

Base Information

• Chemical Name: 1-(4-Ethoxybenzyl)piperazine
• CAS No.: 21867-70-9
• Molecular Formula: C13H20 N2 O
• Molecular Weight: 220.315
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID601289803
• Nikkaji Number: J3.095.069K
• Mol file: 21867-70-9.mol

Synonyms:1-(4-ethoxybenzyl)piperazine;21867-70-9;1-[(4-ethoxyphenyl)methyl]piperazine;1-(4-Ethoxy-benzyl)-piperazine;Piperazine,1-[(4-ethoxyphenyl)methyl]-;435345-38-3;BAS 04443803;Oprea1_384525;Oprea1_561958;SCHEMBL1780598;DTXSID601289803;MFCD02256029;STK350771;AKOS000118188;1-(4-ethoxy-benzyl)-piperazine, AldrichCPR;BB 0249409;CS-0241914;EN300-24118

Chemical Property of 1-(4-Ethoxybenzyl)piperazine

Chemical Property:

• Vapor Pressure: 0.000155mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 331.5°Cat760mmHg
• Flash Point: 154.3°C
• PSA: 24.50000
• Density: 1.037g/cm³
• LogP: 1.75720
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 220.157563266
• Heavy Atom Count: 16
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

1-(4-ethoxybenzyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)CN2CCNCC2

Technology Process of 1-(4-Ethoxybenzyl)piperazine

There total 3 articles about 1-(4-Ethoxybenzyl)piperazine 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:

4-ethoxybenzyl bromide (2606-57-7) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 1-(4-ethoxy-benzyl)-piperazine (21867-70-9)

Guidance literature:

4-ethoxybenzyl bromide; 1-t-Butoxycarbonylpiperazine; With potassium carbonate; In dichloromethane; for 10h; Reflux;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1007/s00044-018-2153-5

Reference yield:

1-ethoxy-4-methylbenzene (622-60-6) → 1-(4-ethoxy-benzyl)-piperazine (21867-70-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 1 h / Reflux; Irradiation

2.1: potassium carbonate / dichloromethane / 10 h / Reflux

2.2: 2 h / 20 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); potassium carbonate; In tetrachloromethane; dichloromethane;

DOI:10.1007/s00044-018-2153-5

Reference yield:

→ 1-(4-ethoxy-benzyl)-piperazine (21867-70-9)

Guidance literature:

entspr. Formylpiperazin Ii, HCl;

upstream raw materials:

1-ethoxy-4-methylbenzene

4-ethoxybenzyl bromide

1-t-Butoxycarbonylpiperazine

Refernces