1-ISOPROPYL-3-PIPERIDINONE

The 3-Piperidinone,1-(1-methylethyl)-, with the CAS registry number 77799-73-6, is also known as 1-Isopropyl-3-piperidinone. This chemical's molecular formula is C₈H₁₅NO and molecular weight is 141.2108. What's more, its systematic name is called 1-Isopropylpiperidin-3-one.

Physical properties about this chemical are: (1)ACD/LogP: 0.53; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.31; (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): 28.015; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.468; (13)Molar Refractivity: 40.62 cm³; (14)Molar Volume: 146.124 cm³; (15)Polarizability: 16.103×10^-24 cm³; (16)Surface Tension: 33.02 dyne/cm; (17)Density: 0.966 g/cm³; (18)Flash Point: 69.246 °C; (19)Enthalpy of Vaporization: 43.628 kJ/mol; (20)Boiling Point: 200.077 °C at 760 mmHg; (21)Vapour Pressure: 0.33 mmHg at 25 °C.

Preparation of 3-Piperidinone,1-(1-methylethyl)-: this chemical can be prepared by 1-Isopropyl-piperidin-3-ol.

This reaction needs reagents Chromic trioxide, H₂SO₄ and solvents Acetone, Acetic acid, H₂O at temperature of 0 °C. The reaction time is 5 hours. The yield is 53 %.

Uses of 3-Piperidinone,1-(1-methylethyl)-: it is used to produce other chemicals. For example, it can react with Phenylmagnesium bromide to get 1-Isopropyl-3-phenyl-3-piperidinol.

The reaction needs reagent Diethyl ether. This reaction react at ambient temperature. The yield is 54 %.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)N1CCCC(=O)C1
(2) InChI: InChI=1/C8H15NO/c1-7(2)9-5-3-4-8(10)6-9/h7H,3-6H2,1-2H3
(3) InChIKey: CYQIRCHOEWIART-UHFFFAOYAF