1-(2,4-Dimethylphenyl)Piperazine

Base Information

• Chemical Name: 1-(2,4-Dimethylphenyl)Piperazine
• CAS No.: 1013-76-9
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 29333990
• European Community (EC) Number: 213-797-7
• UNII: K3VEQ8BX57
• DSSTox Substance ID: DTXSID50143830
• Nikkaji Number: J217.135J
• Wikidata: Q72471389
• Mol file: 1013-76-9.mol

Synonyms:1-(2,4-Dimethylphenyl)Piperazine;1013-76-9;1-(2,4-Xylyl)piperazine;Piperazine, 1-(2,4-dimethylphenyl)-;EINECS 213-797-7;1-(2,4-diemthylphenyl)piperazine;N-(2,4-Dimethylphenyl)piperazine;N-(2,4-Xylyl)piperazine;K3VEQ8BX57;SCHEMBL255197;Piperazine, 1-(2,4-xylyl)-;DTXSID50143830;1,1-dimethyl-4-phenyl piperazine;4-(2,4-dimethylphenyl)piperazine;MFCD00023127;PDSP1_000004;PDSP2_000004;STK802251;1-(2,4-dimethyl-phenyl)-piperazine;AKOS003587745;AS-15169;D4136;FT-0629088;1-(2,4-Dimethylphenyl)piperazine, AldrichCPR;EN300-300249;J-000376;Z594274068

Chemical Property of 1-(2,4-Dimethylphenyl)Piperazine

Chemical Property:

• Appearance/Colour: clear slightly colored liquid
• Vapor Pressure: 0.000139mmHg at 25°C
• Refractive Index: 1.553-1.555
• Boiling Point: 333.1 °C at 760 mmHg
• PKA: 9.00±0.10(Predicted)
• Flash Point: 152.2 °C
• PSA: 15.27000
• Density: 0.999 g/cm³
• LogP: 2.10680
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

1-(2,4-Dimethylphenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N2CCNCC2)C

Technology Process of 1-(2,4-Dimethylphenyl)Piperazine

There total 2 articles about 1-(2,4-Dimethylphenyl)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: 67.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 2,4-Xylidine (95-68-1) → 1-(2,4-dimethylphenyl)piperazine (1013-76-9)

Guidance literature:

at 20 - 165 ℃; neat (no solvent);

DOI:10.2174/157017811799304386

Reference yield:

→ 1-(2,4-dimethylphenyl)piperazine (1013-76-9)

Guidance literature:

DOI:10.1021/jm00325a021

Reference yield: 95.0%

2-(4-ethylpiperazin-1-yl)quinoline-6-carboxylic acid (958333-34-1) + 1-(2,4-dimethylphenyl)piperazine (1013-76-9) → (4-(2,4-dimethylphenyl)piperazin-1-yl)(2-morpholinoquinolin-6-yl)methanone (1637483-29-4)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1248/cpb.c13-00945

upstream raw materials:

bis-(2-chloroethyl)amine hydrochloride

2,4-Xylidine

Downstream raw materials:

2-{2-[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-quinoline; hydrochloride

1-(2,4-Dimethyl-phenyl)-4-(3-nitro-pyridin-4-yl)-piperazine

[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-((1S,2S)-2-phenyl-cyclopropyl)-methanone

[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-((1R,2R)-2-phenyl-cyclopropyl)-methanone