N-BENZOYL-4-PIPERIDONE

The 4-Piperidinone,1-benzoyl-, with the CAS registry number 24686-78-0, is also known as N-Benzoyl-4-piperidone. It belongs to the product categories of Piperidines, Piperidones, Piperazines; Building Blocks; Heterocyclic Building Blocks; Piperidones. Its EINECS registry number is 246-407-9. This chemical's molecular formula is C₁₂H₁₃NO₂ and molecular weight is 203.24. Its IUPAC name is called 1-benzoylpiperidin-4-one. This chemical is light yellow granular powder or granules.

Physical properties of 4-Piperidinone,1-benzoyl-: (1)ACD/LogP: -0.24; (2)ACD/LogD (pH 5.5): -0.24; (3)ACD/LogD (pH 7.4): -0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.72; (7)ACD/KOC (pH 7.4): 17.72; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.573; (11)Molar Refractivity: 56.4 cm³; (12)Molar Volume: 171 cm³; (13)Surface Tension: 48.4 dyne/cm; (14)Density: 1.188 g/cm³; (15)Flash Point: 175.7 °C; (16)Enthalpy of Vaporization: 65.52 kJ/mol; (17)Boiling Point: 403.8 °C at 760 mmHg; (18)Vapour Pressure: 9.9E-07 mmHg at 25°C.

Uses of 4-Piperidinone,1-benzoyl-: it can be used to produce (1-benzoyl-piperidin-4-ylidene)-acetic acid ethyl ester at temperature of 0 °C. This reaction will need reagent EtONa and solvent ethanol with reaction time of 1 hour. The yield is about 98%.

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. You should avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1=O)C(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C12H13NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-5H,6-9H2
(3)InChIKey: NZAXGZYPZGEVBD-UHFFFAOYSA-N