1-(4-Methylbenzyl)piperazine

Base Information

• Chemical Name: 1-(4-Methylbenzyl)piperazine
• CAS No.: 23173-57-1
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 2933599090
• European Community (EC) Number: 625-263-4
• DSSTox Substance ID: DTXSID60945847
• Nikkaji Number: J2.315.340H
• Wikidata: Q82923303
• Mol file: 23173-57-1.mol

Synonyms:1-(4-Methylbenzyl)piperazine;23173-57-1;1-[(4-methylphenyl)methyl]piperazine;Piperazine,1-[(4-methylphenyl)methyl]-;1-(4-Methyl-benzyl)-piperazine;435345-17-8;1-(4-methylbenzyl)-piperazine;BAS 01375866;4-methylbenzylpiperazine;(4-methylbenzyl)piperazine;N-(4-methylbenzyl)piperazine;4-(4-methylbenzyl)piperazine;SCHEMBL245919;DTXSID60945847;RNAXUUAJNMDESG-UHFFFAOYSA-N;MFCD01075235;STK299975;1-(4-Methylbenzyl)piperazine, 97%;2-METHYL-6-OXO-HEPTANOICACID;AKOS000131024;FS-1577;BB 0249431;EN300-131927;F16014;A816611;1-[(4-methylphenyl)methyl]-2,3,5,6-tetrahydropyrazine;Z228580292;1-(p-tolylmethyl)piperazine;1-(4-Methylbenzyl)-piperazine

Chemical Property of 1-(4-Methylbenzyl)piperazine

Chemical Property:

• Vapor Pressure: 0.00192mmHg at 25°C
• Melting Point: 37-41 °C(lit.)
• Refractive Index: 1.543
• Boiling Point: 291.6 °C at 760 mmHg
• PKA: 9.16±0.10(Predicted)
• Flash Point: 120.3 °C
• PSA: 15.27000
• Density: 1.011 g/cm³
• LogP: 1.66690
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 156

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CN2CCNCC2
• Uses: is a useful synthetic intermediate in the synthesis of 3-Desmethyl 4-Methyl Meclizine Dihydrochloride ; a metabolite of Meclizine (, 2HCl monohydrate) which is an antiemetic. 1-(4-Methylbenzyl)piperazine is also used in the synthesis of inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase

Technology Process of 1-(4-Methylbenzyl)piperazine

There total 9 articles about 1-(4-Methylbenzyl)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: 96.0%

→ 1-(4-methylbenzyl)piperazine (23173-57-1)

Guidance literature:

In tetrahydrofuran; for 2.5h; Reflux;

Reference yield: 94.0%

piperazine (110-85-0) + 4-methyl-benzaldehyde (104-87-0) → 1-(4-methylbenzyl)piperazine (23173-57-1)

Guidance literature:

With formic acid; triethylamine; In isopropyl alcohol; at 60 ℃; for 6h; Sealed tube;

DOI:10.1021/jo5000362

Reference yield: 77.0%

piperazine (110-85-0) + 4-Methylbenzyl bromide (104-81-4) → 1-(4-methylbenzyl)piperazine (23173-57-1)

Guidance literature:

In chloroform; at 0 - 20 ℃; for 6h;

DOI:10.3390/molecules20011304

upstream raw materials:

4-Methylbenzyl chloride

piperazine

4-methyl-benzaldehyde

4-Methylbenzyl bromide

Downstream raw materials:

1,1-dimethylethyl 4-[(4-methylphenyl)methyl]-1-piperazine carboxylate

lithium 2-methoxyphenylacetylide

2-(4-(4-methylbenzyl)piperazin-1-yl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-7-yl)acetamide

2-butoxy-7,8-dihydro-9-(3-[4-(4-methylbenzyl)piperazin-1-yl]-propyl)-8-oxoadenine

Refernces

• 1、 Han, Bo,Jiao, Haijun,Wu, Lipeng,Zhang, Jiong. "Zirconium-hydride-catalyzed site-selective hydroboration of amides for the synthesis of amines: Mechanism, scope, and application". . p. 2059 - 2067. Retrieved 2021/09/02.
• 2、 Bassetto, Marcella,Benato, Sara,Brancale, Andrea,Ferla, Salvatore,Jochmans, Dirk,Manganaro, Roberto,Neyts, Johan,Paulissen, Jasmine. "Rational modifications, synthesis and biological evaluation of new potential antivirals for RSV designed to target the M2-1 protein". supporting information. . Retrieved 2020/03/13.