1-Benzyl-4-methylpiperazine

Base Information

• Chemical Name: 1-Benzyl-4-methylpiperazine
• CAS No.: 62226-74-8
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 2933599090
• UNII: 4GD4YEE2WP
• DSSTox Substance ID: DTXSID90354100
• Nikkaji Number: J2.300.798C
• Wikipedia: Methylbenzylpiperazine
• Wikidata: Q6823963
• ChEMBL ID: CHEMBL363603
• Mol file: 62226-74-8.mol

Synonyms:1-benzyl-4-methylpiperazine;62226-74-8;MBzP;methylbenzylpiperazine;1-benzyl-4-methyl-piperazine;1-Methyl-4-(phenylmethyl)piperazine;Piperazine, 1-methyl-4-(phenylmethyl)-;4GD4YEE2WP;1-methyl-4-benzylpiperazine;CHEMBL363603;UNII-4GD4YEE2WP;Cambridge id 5263722;SCHEMBL221139;DTXSID90354100;MLJOKPBESJWYGL-UHFFFAOYSA-N;HMS1579O15;BCP22253;AB8208;BDBM50174044;STK115879;1-methyl-4-(phenylmethyl)-piperazine;AKOS000279985;AM87964;AC-28095;AS-44880;PD047679;FT-0712406;Q6823963

Chemical Property of 1-Benzyl-4-methylpiperazine

Chemical Property:

• Boiling Point: 128-132 °C(Press: 12 Torr)
• PKA: 7.59±0.10(Predicted)
• PSA: 6.48000
• Density: 1.018±0.06 g/cm3(Predicted)
• LogP: 1.30980
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 156

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)CC2=CC=CC=C2
• Uses: 1-Methyl-4-(phenylmethyl)piperazine is a compound that has potent adrenergic blocking effects in animals. 1-Methyl-4-(phenylmethyl)piperazine also exhibits psychostimulatory properties in humans.

Technology Process of 1-Benzyl-4-methylpiperazine

There total 22 articles about 1-Benzyl-4-methylpiperazine 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: 97.0%

1-methyl-piperazine (109-01-3) + benzyl alcohol (100-51-6,185532-71-2) → 1-benzyl-4-methylpiperazine (62226-74-8)

Guidance literature:

[ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; bis[2-(diphenylphosphino)phenyl] ether; In toluene; for 24h; Heating;

DOI:10.1016/j.tetlet.2007.09.134

Reference yield: 89.0%

1-methyl-piperazine (109-01-3) + benzyl bromide (100-39-0) → 1-benzyl-4-methylpiperazine (62226-74-8)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide; at 20 ℃; Neat (no solvent);

DOI:10.1080/00397910802654740

Reference yield: 81.0%

1-methyl-piperazine (109-01-3) + benzaldehyde (100-52-7) → 1-benzyl-4-methylpiperazine (62226-74-8)

Guidance literature:

With formic acid; boron trifluoride diethyl etherate; In acetonitrile; at 85 ℃; for 5h; Green chemistry;

DOI:10.1039/d1gc01468d

upstream raw materials:

formic acid

1-phenylmethylpiperazine

methyl iodide

1-benzyl-4-methyl-piperazine-2,6-dione

Downstream raw materials:

1-methylpiperazine hydrochloride

1-benzyl-4-methylpiperazine-2,3-dione

4-benzyl-1-methylpiperazin-2-one

4-benzyl-piperazin-2-one

Refernces

• 1、 Fan, Qing-Hua,Liu, Xintong,Luo, Zhenli,Pan, Yixiao,Xu, Lijin,Yang, Ji,Yao, Zhen,Zhang, Xin. "BF3·Et2O as a metal-free catalyst for direct reductive amination of aldehydes with amines using formic acid as a reductant". supporting information. p. 5205 - 5211. Retrieved 2021/07/29.
• 2、 Chai, Yunfeng,Shao, Yunlong,Wang, Lu,Wang, Lin. "Loss of benzaldehyde in the fragmentation of protonated benzoylamines: Benzoyl cation as a hydride acceptor in the gas phase". . p. 664 - 671. Retrieved 2017/11/04.