1-pyrazin-2-ylbutan-1-one

The 1-Butanone,1-(2-pyrazinyl)- is an organic compound with the formula C₈H₁₀N₂O. The IUPAC name of this chemical is 1-Pyrazin-2-ylbutan-1-one. With the CAS registry number 61892-81-7, it is also named as 1-(2-Pyrazinyl)-1-butanone. Besides, its molecular weight is 150.1778.

Physical properties about 1-Butanone,1-(2-pyrazinyl)- are: (1)ACD/LogP: 1.22; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 42.85 Å²; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 41.72 cm³; (7)Molar Volume: 140.4 cm³; (8)Polarizability: 16.54×10^-24 cm³; (9)Surface Tension: 43.3 dyne/cm; (10)Density: 1.069 g/cm³; (11)Flash Point: 105.9 °C; (12)Enthalpy of Vaporization: 48.29 kJ/mol; (13)Boiling Point: 245.8 °C at 760 mmHg; (14)Vapour Pressure: 0.0281 mmHg at 25 °C.

Preparation: this chemical can be prepared by Pyrazine and 2-Oxo-valeric acid. This reaction will need reagents AgNO₃, NH₄S₂O₈, CF₃COOH and solvents H₂O and CH₂Cl₂. The reaction time is 2.5 hours with reaction temperature of 40 °C. The yield is about 74%.

Uses of 1-Butanone,1-(2-pyrazinyl)-: it can be used to produce 2-Methyl-1-pyrazin-2-yl-cyclopropanol and 1-Pyrazin-2-yl-ethanone. It will need reagents 2-Methyl-propan-2-ol and Benzene with reaction time of 4 hours. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nccnc1)CCC
(2)InChI: InChI=1/C8H10N2O/c1-2-3-8(11)7-6-9-4-5-10-7/h4-6H,2-3H2,1H3
(3)InChIKey: JYMZPEKUDHEXFN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H10N2O/c1-2-3-8(11)7-6-9-4-5-10-7/h4-6H,2-3H2,1H3
(5)Std. InChIKey: JYMZPEKUDHEXFN-UHFFFAOYSA-N