1-(4-Isopropylbenzyl)piperazine

Base Information

• Chemical Name: 1-(4-Isopropylbenzyl)piperazine
• CAS No.: 23145-95-1
• Molecular Formula: C14H22 N2
• Molecular Weight: 218.342
• Hs Code.: 2933599090
• European Community (EC) Number: 874-325-9
• DSSTox Substance ID: DTXSID60368951
• Wikidata: Q82155864
• Mol file: 23145-95-1.mol

Synonyms:1-(4-isopropylbenzyl)piperazine;23145-95-1;1-[(4-propan-2-ylphenyl)methyl]piperazine;1-{[4-(propan-2-yl)phenyl]methyl}piperazine;MFCD05189157;Piperazine, 1-[[4-(1-methylethyl)phenyl]methyl]-;1-[4-(propan-2-yl)benzyl]piperazine;HMS1783L02;SCHEMBL12015808;DTXSID60368951;HOBCRUDGINOFNV-UHFFFAOYSA-N;1-(4-Isopropyl-benzyl)-piperazine;BBL017900;STK488103;AKOS003237365;1-[[4-Isopropylphenyl]methyl]piperazine;NS-02581;BB 0249434;CS-0223317;EN300-11474;J-504082;Z57046218

Chemical Property of 1-(4-Isopropylbenzyl)piperazine

Chemical Property:

• Vapor Pressure: 0.000416mmHg at 25°C
• Boiling Point: 316.2°Cat760mmHg
• Flash Point: 117.9°C
• PSA: 15.27000
• Density: g/cm³
• LogP: 2.48190
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.178298710
• Heavy Atom Count: 16
• Complexity: 189

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Isopropylbenzyl)piperazine

There total 4 articles about 1-(4-Isopropylbenzyl)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: 90.0%

→ 1-(p-Isopropylbenzyl)piperazine (23145-95-1)

Guidance literature:

In tetrahydrofuran; for 2.5h; Reflux;

Reference yield:

tert-butyl 4-(p-isopropylbenzyl)piperazine-1-carboxylate (84418-44-0) → 1-(p-Isopropylbenzyl)piperazine (23145-95-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl, conc. / methanol / 2 h / Heating

2: NaCHO₃

With hydrogenchloride; In methanol;

DOI:10.1021/jo00153a009

Reference yield:

4-isopropylbenzyl chloride (2051-18-5) → 1-(p-Isopropylbenzyl)piperazine (23145-95-1)

Guidance literature:

Multi-step reaction with 3 steps

1: diisopropylethylamine / CH₂Cl₂ / Heating

2: HCl, conc. / methanol / 2 h / Heating

3: NaCHO₃

With hydrogenchloride; N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane;

DOI:10.1021/jo00153a009

upstream raw materials:

piperazine

4-isopropylbenzyl chloride

tert-butyl 4-(p-isopropylbenzyl)piperazine-1-carboxylate

Downstream raw materials:

1-(9-Fluorenylmethyl)-4-(p-isopropylbenzyl)piperazine

2-(4-(4-isopropylbenzyl)piperazin-1-yl)acetohydrazide

ethyl 2-(4-(4-isopropylbenzyl)piperazin-1-yl)acetate