2-(METHYLSULFONYL)-1-PYRIDIN-2-YLETHANONE

The Ethanone,2-(methylsulfonyl)-1-(2-pyridinyl)-, with the CAS registry number 27302-93-8, is also known as 2-(2-Methylsulphonylacetyl)pyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C₈H₉NO₃S and molecular weight is 199.23. What's more, its systematic name is 2-(methylsulfonyl)-1-pyridin-2-ylethanone. 

Physical properties of Ethanone,2-(methylsulfonyl)-1-(2-pyridinyl)- are: (1)ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.24; (8)ACD/KOC (pH 7.4): 12.24; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.48 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 47.37 cm³; (15)Molar Volume: 151.7 cm³; (16)Polarizability: 18.78×10^-24cm³; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 210.8 °C; (20)Enthalpy of Vaporization: 67.96 kJ/mol; (21)Boiling Point: 425 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-07 mmHg at 25°C.

Preparation of Ethanone,2-(methylsulfonyl)-1-(2-pyridinyl)-: this chemical can be prepared by dimethyl-(1-pyridin-2-yl-vinyl)-amine and methanesulfonyl chloride at the room temperature. This reaction will need reagent triethylamine and solvent CH₂Cl₂ with the reaction time of 2 hours. The yield is about 82%.

Uses of Ethanone,2-(methylsulfonyl)-1-(2-pyridinyl)-: it can be used to produce 2-[(Methylsulfonyl)-methyl]-2-pyridinmethanol. It will need reagent NaBH₄ and solvent ethanol. The yield is about 89%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ncccc1)CS(=O)(=O)C
(2)InChI: InChI=1S/C8H9NO3S/c1-13(11,12)6-8(10)7-4-2-3-5-9-7/h2-5H,6H2,1H3
(3)InChIKey: ZGMMUHVILAEGAA-UHFFFAOYSA-N