1-(2-Phenylethyl)piperazine

The Piperazine,1-(2-phenylethyl)-, with the CAS registry number 5321-49-3, is also known as (2-Phenylethyl)piperazine. It belongs to the product category of Piperazines. Its EINECS registry number is 226-186-5. This chemical's molecular formula is C₁₂H₁₈N₂ and molecular weight is 190.28472. Its IUPAC name is called 1-(2-phenylethyl)piperazine.

Physical properties of Piperazine,1-(2-phenylethyl)-: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): -1.26; (3)ACD/LogD (pH 7.4): -0.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.16; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.529; (12)Molar Refractivity: 59.17 cm³; (13)Molar Volume: 191.8 cm³; (14)Surface Tension: 35.7 dyne/cm; (15)Density: 0.991 g/cm³; (16)Flash Point: 124.6 °C; (17)Enthalpy of Vaporization: 53.7 kJ/mol; (18)Boiling Point: 297.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00137 mmHg at 25°C.

Preparation of Piperazine,1-(2-phenylethyl)-: this chemical can be prepared by (2-bromo-ethyl)-benzene and piperazine. This reaction will need solvent toluene. The reaction time is 2 hours with reaction temperature of 85 °C. The yield is about 69%.

Uses of Piperazine,1-(2-phenylethyl)-: it can be used to produce 2-(4-phenethyl-piperazin-1-ylmethyl)-chromen-4-one with 2-chloromethyl-chromen-4-one by heating. This reaction will need reagent K₂CO₃ and solvent tetrahydrofuran. The yield is about 60%.

 

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. 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 suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)CCC2=CC=CC=C2
(2)InChI: InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2
(3)InChIKey: LKUAPSRIYZLAAO-UHFFFAOYSA-N