2,4-DIMETHYL-PYRIDINE 1-OXIDE

The Pyridine, 2, 4-dimethyl-, 1-oxide, with the CAS registry number 1122-45-8, is also known as 2, 4-Dimethylpyridine 1-oxide. Its EINECS registry number is 214-349-3. This chemical's molecular formula is C₇H₉NO and molecular weight is 123.15. What's more, its IUPAC name is 2, 4-Dimethyl-1-oxidopyridin-1-ium.

Physical properties about Pyridine, 2, 4-dimethyl-, 1-oxide are: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.28; (4)ACD/LogD (pH 7.4): -0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.75; (8)ACD/KOC (pH 7.4): 16.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 24.11 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 36.68 cm³; (15)Molar Volume: 122.7 cm³; (16)Polarizability: 14.54×10^-24 cm³; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 1 g/cm³; (19)Flash Point: 129.4 °C; (20)Enthalpy of Vaporization: 50.85 kJ/mol; (21)Boiling Point: 290.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00362 mmHg at 25 °C.

Preparation of Pyridine, 2, 4-dimethyl-, 1-oxide: this chemical is prepared by 2, 4-Dimethyl-pyridine. The reaction needs reagent mCPBA and solvent CHCl₃. The reaction time is 3 hours with reaction temperature of 20 °C. The yield is about 100 %.

Uses of Pyridine, 2, 4-dimethyl-, 1-oxide: it is used to produce other chemicals. For example, it is used to produce 4-Methyl-2-phenacylpyridine 1-oxide. The reaction needs reagent NaH and solvent Tetrahydrofuran. The yield is about 47 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]1ccc(cc1C)C
(2) InChI: InChI=1/C7H9NO/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
(3) InChIKey: KMQVCYOPBMKRKH-UHFFFAOYAQ