1-(4-Methylphenyl)piperazine

Base Information

• Chemical Name: 1-(4-Methylphenyl)piperazine
• CAS No.: 39593-08-3
• Molecular Formula: C11H16N2
• Molecular Weight: 176.261
• Hs Code.: 29335990
• European Community (EC) Number: 254-534-6
• DSSTox Substance ID: DTXSID90192706
• Nikkaji Number: J261.399I
• Wikidata: Q72495114
• ChEMBL ID: CHEMBL165462
• Mol file: 39593-08-3.mol

Synonyms:1-(4-Methylphenyl)piperazine;39593-08-3;1-(p-Tolyl)piperazine;1-p-tolylpiperazine;1-p-Tolyl-piperazine;1-(4-methylphenyl)-piperazine;MFCD00040737;CHEMBL165462;EINECS 254-534-6;4-methylphenyl piperazine;SCHEMBL81940;4-(4-methylphenyl)piperazine;1-(4-methyl phenyl) piperazine;1-(4-methyl-phenyl)-piperazine;DTXSID90192706;BDBM50001911;STL169113;AKOS000101188;CS-W017398;FS-1236;SY012701;1-(4-Methylphenyl)piperazine, >=98.0%;FT-0605872;T2956;EN300-133334;F16015;A824639;J-503363;Z594274098

Chemical Property of 1-(4-Methylphenyl)piperazine

Chemical Property:

• Appearance/Colour: White to yellow low melting solid
• Vapor Pressure: 0.000303mmHg at 25°C
• Melting Point: 29-32 °C
• Refractive Index: 1.54
• Boiling Point: 321.2 °C at 760 mmHg
• PKA: 9.00±0.10(Predicted)
• Flash Point: 153.8 °C
• PSA: 15.27000
• Density: 1.013 g/cm³
• LogP: 1.79840
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 144

Purity/Quality:

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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2CCNCC2
• Uses: N-4-Tolylpiperazine is useful in the synthesis of 10H-Phenothiazine derivatives as ferroptosis inhibitors. This is useful in the treatment of stroke.

Technology Process of 1-(4-Methylphenyl)piperazine

There total 20 articles about 1-(4-Methylphenyl)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-methylphenyl)piperazine hydrochloride (13078-14-3,159263-04-4) → (4-methylphenyl)piperazine (39593-08-3)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 0.5h; pH=11 - 12;

DOI:10.1111/cbdd.13324

Reference yield: 90.0%

ethyl-4-(4-methylphenyl)-1-piperazine carboxylate → (4-methylphenyl)piperazine (39593-08-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Heating;

DOI:10.1016/S0040-4020(99)00788-7

Reference yield: 81.0%

piperazine (110-85-0) + para-chlorotoluene (106-43-4) → (4-methylphenyl)piperazine (39593-08-3)

Guidance literature:

piperazine; With [2,2]bipyridinyl; tert-Amyl alcohol; nickel diacetate; In tetrahydrofuran; at 63 ℃; for 2h;

para-chlorotoluene; With styrene; In tetrahydrofuran; for 6.5h; Heating;

DOI:10.1016/S0040-4039(00)00277-X

upstream raw materials:

p-toluidine hydrochloride

morpholin hydrochloride

bis(2-bromoethyl)amine hydrobromide

p-toluidine

Downstream raw materials:

1-Chloro-3-(4-p-tolyl-piperazin-1-yl)-propan-2-ol

Refernces

• 1、 Breen, C. J.,Devine, R.,Driver, R. B.,Findlay, J. B. C.,Kelada, M.,Kinsella, G. K.,Leonard, S.,Martin, D. S. D.,Stephens, J. C.,Walsh, J. M. D.. "Design, synthesis, and biological evaluation of aryl piperazines with potential as antidiabetic agents via the stimulation of glucose uptake and inhibition of NADH:ubiquinone oxidoreductase". . . Retrieved 2020/07/08.
• 2、 Lv, Kai,Li, Linhu,Wang, Bo,Liu, Mingliang,Wang, Bin,Shen, Weiyi,Guo, Huiyuan,Lu, Yu. "Design, synthesis and antimycobacterial activity of novel imidazo[1,2-a]pyridine-3-carboxamide derivatives". . p. 117 - 125. Retrieved 2017/06/05.