| Identification | Back Directory | [Name]
1-Isopropylpyrazole | [CAS]
18952-87-9 | [Synonyms]
1-isopropylpyrazole
1-propan-2-ylpyrazole
1-Isopropyl-1H-pyrazole
2-isopropyl-1H-Pyrazole
1-(propan-2-yl)-1H-pyrazole
1-(1-Methylethyl)-1H-pyrazole
1H-Pyrazole, 1-(1-methylethyl)- | [Molecular Formula]
C6H10N2 | [MDL Number]
MFCD07468920 | [MOL File]
18952-87-9.mol | [Molecular Weight]
110.16 |
| Chemical Properties | Back Directory | [Boiling point ]
143 °C | [density ]
0.96 | [refractive index ]
1.4620 to 1.4660 | [Fp ]
43 °C | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [pka]
2.29±0.10(Predicted) | [color ]
Colorless to Almost colorless |
| Safety Data | Back Directory | [RIDADR ]
UN 1993 3/PG III | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
2933199090 |
| Hazard Information | Back Directory | [Synthesis]
The reaction mixture was stirred at 120 °C for 90 h with pyrazole (5 g, 73.44 mmol) and 2-bromopropane (15 mL, 2 eq.), NaHCO3 (12.2 g, 2 eq.) was added as base. During the reaction, 2-bromopropane was supplemented as needed to maintain the reaction volume. Upon completion of the reaction, the insoluble solids were removed by filtration and the filtrate was purified by distillation. The colorless syrupy product 1-isopropyl-1H-pyrazole (4.6 g, 57% yield) with a boiling point of 148°C was collected. | [References]
[1] Patent: WO2006/108591, 2006, A1. Location in patent: Page/Page column 112
[2] Journal of Medicinal Chemistry, 2010, vol. 53, # 5, p. 1923 - 1936
[3] Patent: WO2005/12254, 2005, A1. Location in patent: Page/Page column 129
[4] Patent: US2009/170873, 2009, A1. Location in patent: Page/Page column 48 |
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