The Ethanone,1-(4-pyridinyl)-, oxime, with the CAS registry number 1194-99-6, is also known as 4-Acetylpyridine oxime. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C7H8N2O and molecular weight is 136.15. What's more, its IUPAC name is 4-(1-Nitrosoethylidene)-1H-pyridine.
Physical properties about Ethanone,1-(4-pyridinyl)-, oxime: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.842; (4)ACD/LogD (pH 7.4): 0.876; (5)ACD/BCF (pH 5.5): 2.518; (6)ACD/BCF (pH 7.4): 2.726; (7)ACD/KOC (pH 5.5): 65.828; (8)ACD/KOC (pH 7.4): 71.266; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.48 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 39.028 cm3; (15)Molar Volume: 122.363 cm3; (16)Surface Tension: 39.875 dyne/cm; (17)Density: 1.113 g/cm3; (18)Flash Point: 121.403 °C; (19)Enthalpy of Vaporization: 54.47 kJ/mol; (20)Boiling Point: 277.128 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C; (22)Melting point: 156-157 °C.
Preparation of Ethanone,1-(4-pyridinyl)-, oxime: it can be obtained by 1-Pyridin-4-yl-ethanone. The reaction occurs with reagent NH2OH. The yield is 87%.
Uses of Ethanone,1-(4-pyridinyl)-, oxime: it is used to produce other chemicals. For example, it can react with Ethyne to get 4-Pyrrol-2-yl-pyridine. The reaction occurs with reagent KOH and solvent dimethylsulfoxide at temperature of 80-85°C for 3.5 hours. The yield is 42%.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=NO)c1ccncc1
(2) InChI: InChI=1/C7H8N2O/c1-6(9-10)7-2-4-8-5-3-7/h2-5,10H,1H3
(3) InChIKey: OZJWWTXSMXGPMI-UHFFFAOYAV
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