| Identification | Back Directory | [Name]
6-Trifluoromethylpyridazin-3(2H)-one | [CAS]
174607-36-4 | [Synonyms]
6-Trifluoromethyl-pyridazin-3-ol
6-Trifluoromethylpyridazin-3(2H)-one
6-(Trifluoromethyl)pyridazin-3(2h)-on
3-(trifluoromethyl)-1H-pyridazin-6-one
3(2H)-Pyridazinone, 6-(trifluoromethyl)-
6-(trifluoroMethyl)-2,3-dihydropyridazin-3-one | [Molecular Formula]
C5H3F3N2O | [MDL Number]
MFCD09754152 | [MOL File]
174607-36-4.mol | [Molecular Weight]
164.09 |
| Chemical Properties | Back Directory | [Melting point ]
80-81 °C | [density ]
1.55±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [pka]
10.05±0.40(Predicted) | [Appearance]
White to light yellow Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 6-(trifluoromethyl)-4,5-dihydropyridazin-3(2H)-one from 6-(trifluoromethyl)-4,5-dihydropyridazin-3(2H)-one: a mixture of 6-(trifluoromethyl)-4,5-dihydropyridazin-3(2H)-one (90.0 g), bromine (30.5 mL), and acetic acid (270 mL) were stirred and reacted for 1 hour at 80 °C. Upon completion of the reaction, ice water (500 mL) was added to the reaction mixture to quench the reaction. The precipitated crystals were collected by filtration, washed sequentially with aqueous sodium bicarbonate and distilled water, and dried to give 6-(trifluoromethyl)pyridazin-3(2H)-one (58.74 g, 66% yield) as white crystals. The melting point of the product was 129-130 °C. 1H-NMR (CDCl3) δ: 7.14 (1H, dd, J = 9.9, 0.5 Hz), 7.54 (1H, d, J = 10.0 Hz), 12.64 (1H, brs). | [References]
[1] Tetrahedron, 2009, vol. 65, # 21, p. 4212 - 4219
[2] Patent: WO2003/99793, 2003, A1. Location in patent: Page 272
[3] Patent: US2011/34450, 2011, A1. Location in patent: Page/Page column 103
[4] Patent: WO2005/47279, 2005, A1. Location in patent: Page/Page column 48-49 |
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