| Identification | Back Directory | [Name]
4-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole | [CAS]
938066-17-2 | [Synonyms]
4-iodo-1-(oxan-2-yl)pyrazole
4-iodo-1-(oxan-2-yl)-1H-pyrazole
4-Iodo-1-tetrahydropyran-2-yl-pyrazole
4-Iodo-1-(tetrahydropyran-2-yl)-1H-pyrazole
4-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
1H-Pyrazole, 4-iodo-1-(tetrahydro-2H-pyran-2-yl)- | [Molecular Formula]
C8H11IN2O | [MDL Number]
MFCD19689194 | [MOL File]
938066-17-2.mol | [Molecular Weight]
278.09 |
| Chemical Properties | Back Directory | [Boiling point ]
351.9±32.0 °C(Predicted) | [density ]
1.93±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C(protect from light) | [pka]
0.14±0.19(Predicted) | [Appearance]
Off-white to light yellow Solid-Liquid Mixture |
| Hazard Information | Back Directory | [Synthesis]
To a stirred solution of 4-iodopyrazole (5.0 g, 25.8 mmol) in dichloromethane (10 mL) was sequentially added p-toluenesulfonic acid monohydrate (TsOH-H2O, 0.5 g, 2.9 mmol) and 3,4-dihydro-2H-pyran (4.5 g, 53.5 mmol). The reaction mixture was stirred at room temperature for 2 hours. After completion of the reaction, the mixture was concentrated under reduced pressure to remove the solvent. The crude product was purified by silica gel column chromatography using ethyl acetate/petroleum ether (1:3, v/v) as eluent to afford the target compound, 4-iodo-1-(tetrahydropyran-2-yl)-1H-pyrazole (7 g, 93% yield), as a colorless oil.The LC-MS (ESI) analysis showed [M-84 + H]+ = 195.1 . | [References]
[1] European Journal of Inorganic Chemistry, 2017, vol. 2017, # 2, p. 446 - 453
[2] Patent: US2018/282328, 2018, A1. Location in patent: Paragraph 1171; 1172
[3] Journal of Organic Chemistry, 2007, vol. 72, # 9, p. 3589 - 3591
[4] European Journal of Medicinal Chemistry, 2014, vol. 73, p. 167 - 176
[5] Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, 2014, vol. 69, # 1, p. 83 - 97 |
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