| Identification | Back Directory | [Name]
4-Fluoro-1H-pyrazole | [CAS]
35277-02-2 | [Synonyms]
4-Fluoro-1H-pyrazole
1H-Pyrazole, 4-fluoro-
4-Fluoro-1H-pyrazole 95%
4-Fluoro-1H-pyrazole4-Fluoro-1H-pyrazole | [Molecular Formula]
C3H3FN2 | [MDL Number]
MFCD10699125 | [MOL File]
35277-02-2.mol | [Molecular Weight]
86.07 |
| Chemical Properties | Back Directory | [Melting point ]
38-40 °C | [Boiling point ]
193℃ | [density ]
1.320 | [Fp ]
70℃ | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
low melting solid | [pka]
13.66±0.50(Predicted) | [color ]
Colourless to off-white | [InChI]
InChI=1S/C3H3FN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6) | [InChIKey]
RYXJXPHWRBWEEB-UHFFFAOYSA-N | [SMILES]
N1C=C(F)C=N1 |
| Hazard Information | Back Directory | [Uses]
4-Fluoropyrazole is used in preparation and palladium catalyzed cross-coupling reactions of tributylstannyl fluoropyrazole. | [Synthesis]
General procedure for the synthesis of 4-fluoro-1H-pyrazole using the compound (CAS: 761-88-6) as starting material: dihydrazine (4.48 g, 0.043 mol) was added to (Z)-3-(dimethylamino)-2-fluoroacrylaldehyde (5 g, 0.043 mol) in 100 mL of 40% (V/V) aqueous ethanol solution. Subsequently, the reaction mixture was heated at 55 °C for 30 min. After completion of the reaction, the mixture was cooled to room temperature and the pH was adjusted with saturated aqueous sodium bicarbonate to 9. The aqueous layer was extracted with ether and the organic layers were combined and dried with anhydrous sodium sulfate. Finally, the solvent was removed by distillation under reduced pressure to give 3.6 g of the title compound 28-d as a yellow oil in 77% yield. | [References]
[1] Patent: WO2013/40790, 2013, A1. Location in patent: Page/Page column 87; 88
[2] Patent: WO2013/43624, 2013, A1. Location in patent: Page/Page column 87; 88 |
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