| Identification | Back Directory | [Name]
5-(Hydroxymethyl)-1-methyl-1H-pyrazole | [CAS]
84547-61-5 | [Synonyms]
1-Methylpyrazole-5-methanol
(2-methyl-3-pyrazolyl)methanol
(2-methylpyrazol-3-yl)methanol
1H-pyrazole-5-methanol, 1-methyl-
(1-Methyl-1H-pyrazol-5-yl)methanol
(2-Methyl-2H-pyrazol-3-yl)-methanol
5-(Hydroxymethyl)-1-methyl-1H-pyrazole | [Molecular Formula]
C5H8N2O | [MDL Number]
MFCD08556301 | [MOL File]
84547-61-5.mol | [Molecular Weight]
112.13 |
| Chemical Properties | Back Directory | [Melting point ]
55-59.5 | [Boiling point ]
243.6±15.0 °C(Predicted) | [density ]
1.16±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
powder to crystal | [pka]
14.35±0.10(Predicted) | [color ]
White to Almost white |
| Hazard Information | Back Directory | [Synthesis]
1-Methyl-1H-pyrazole-5-carboxylic acid (2 g, 15.86 mmol) was dissolved in tetrahydrofuran (50 mL) at 0 °C and in an inert atmosphere, followed by batchwise addition of lithium aluminum hydride (LiAlH4, 720 mg, 18.97 mmol). The reaction system was stirred under nitrogen protection at room temperature for 2 hours. Upon completion of the reaction, water (2 mL) was slowly added to quench the reaction. The mixture was dried over anhydrous sodium sulfate and filtered to remove the solid. The filtrate was concentrated under reduced pressure to afford the target product (1-methyl-1H-pyrazol-5-yl)methanol as a colorless oil (1.2 g, 67% yield). Mass spectrum (ESI, m/z): [M + H]+ 113.0. 1H NMR (300 MHz, CDCl3) δ 7.36 (d, J = 1.8 Hz, 1H), 6.18 (d, J = 1.8 Hz, 1H), 4.66 (s, 2H), 3.88 (s, 3H). | [References]
[1] Patent: WO2014/66795, 2014, A1. Location in patent: Paragraph 0175
[2] J. Gen. Chem. USSR (Engl. Transl.), 1982, vol. 52, # 11, p. 2297 - 2303
[3] Zhurnal Obshchei Khimii, 1982, vol. 52, # 11, p. 2598 - 2605
[4] Patent: WO2014/151142, 2014, A1
[5] Patent: WO2016/29454, 2016, A1. Location in patent: Page/Page column 64 |
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