Methanone,1-piperazinyl(tetrahydro-2-furanyl)- (63074-07-7)

The IUPAC name of Methanone,1-piperazinyl(tetrahydro-2-furanyl)- is oxolan-2-yl(piperazin-1-yl)methanone. With the CAS registry number 63074-07-7, it is also named as 1-(2-Tetrahydrofuroyl)-piperazine. The product's categories are Pharmaceutical intermediates; API intermediates. It is colorless to yellow viscous liquid which is used as intermediate Iomerizine hydrochloride and Flunarizine Hydrochloride. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.71; (4)ACD/LogD (pH 7.4): -1.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.96; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 47.98 cm³; (14)Molar Volume: 160.6 cm³; (15)Polarizability: 19.02×10^-24 cm³; (16)Surface Tension: 42.2 dyne/cm; (17)Enthalpy of Vaporization: 60.21 kJ/mol; (18)Vapour Pressure: 2.85E-05 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 184.121178; (21)MonoIsotopic Mass: 184.121178; (22)Topological Polar Surface Area: 41.6; (23)Heavy Atom Count: 13; (24)Complexity: 190.

Preparation of Methanone,1-piperazinyl(tetrahydro-2-furanyl)-: It can be obtained by piperazine and tetrahydro-furan-2-carboxylic acid. This reaction needs reagent HMDS at temperature of 110 °C. The reaction time is 8 hours. The yield is 93 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(N1CCNCC1)C2OCCC2
2. InChI:InChI=1/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2