1-(4-Methylbenzyl)piperazine

The Piperazine,1-[(4-methylphenyl)methyl]-, with the CAS registry number 23173-57-1, is also known as NSC57852. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Piperazines. This chemical's molecular formula is C₁₂H₁₈N₂ and molecular weight is 190.2847. Its IUPAC name is called 1-(1-hydroxycyclopentyl)cyclohexan-1-ol.

Physical properties of Piperazine,1-[(4-methylphenyl)methyl]-: (1)ACD/LogP: 1.82; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.543; (6)Molar Refractivity: 59.35 cm³; (7)Molar Volume: 188.1 cm³; (8)Surface Tension: 38 dyne/cm; (9)Density: 1.011 g/cm³; (10)Flash Point: 120.3 °C; (11)Enthalpy of Vaporization: 53.11 kJ/mol; (12)Boiling Point: 291.6 °C at 760 mmHg; (13)Vapour Pressure: 0.00192 mmHg at 25°C.

Preparation: this chemical can be prepared by piperazine and 1-chloromethyl-4-methyl-benzene. This reaction will need solvent toluene. The reaction time is 2 hours with reaction temperature of 85 °C. The yield is about 36%.

Uses of Piperazine,1-[(4-methylphenyl)methyl]-: it can be used to produce 3-[4-(4-methyl-benzyl)-piperazin-1-yl]-propan-1-ol by heating. This reaction will need reagent K₂CO₃ and solvent butan-2-one. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)(C2(CCCC2)O)O
(2)InChI: InChI=1S/C11H20O2/c12-10(6-2-1-3-7-10)11(13)8-4-5-9-11/h12-13H,1-9H2
(3)InChIKey: FLPGXRXHSWPSFZ-UHFFFAOYSA-N