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| | 3-METHYL-1-PHENYLPYRAZOLE Basic information |
| | 3-METHYL-1-PHENYLPYRAZOLE Chemical Properties |
| Melting point | 34-36 °C(lit.) | | Boiling point | 255-256℃ (752 Torr) | | density | 1,076 g/cm3 | | refractive index | 1.5870 (589.3 nm 20℃) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | pka | 0.87±0.10(Predicted) | | form | Crystals | | color | White | | Water Solubility | Insoluble in water. | | BRN | 117870 | | CAS DataBase Reference | 1128-54-7(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | HS Code | 29331990 |
| | 3-METHYL-1-PHENYLPYRAZOLE Usage And Synthesis |
| Chemical Properties | white crystals | | Uses | 3-Methyl-1-phenyl-1H-pyrazole is used to produce 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde at the temperature of 90-100°C with reagent phosphorus oxychloride. | | Synthesis | GENERAL METHOD: 3-methylpyrazole (1.47 mmol), CuI (Sigma-Aldrich, 99.999% purity, 0.147 mmol), MnF2 (Sigma-Aldrich, 98% purity, 0.441 mmol), KOH (2.94 mmol) and iodobenzene (2.21 mmol) were added sequentially to the reaction vial along with trans-1 , 1 , 2-diaminocyclohexane (0.294 mmol) and water (0.75 mL). 2-diaminocyclohexane (0.294 mmol) and water (0.75 mL) were sequentially added to the reaction vial and fitted with screw caps to seal. The reaction mixture was stirred at 60 °C for 24 h in air. Upon completion of the reaction, it was cooled to room temperature, the reaction mixture was diluted with dichloromethane and filtered through a diatomaceous earth pad. The organic phases were combined, dried with anhydrous Na2SO4 and concentrated under reduced pressure to remove the solvent. The crude product was purified by silica gel column chromatography to give 3-methyl-1-phenylpyrazole. The structure and purity of the product were confirmed by 1H NMR and 13C NMR spectral analysis. | | References | [1] Chemical Communications, 2009, # 41, p. 6258 - 6260
[2] Advanced Synthesis and Catalysis, 2009, vol. 351, # 5, p. 720 - 724
[3] Tetrahedron Letters, 2011, vol. 52, # 52, p. 7171 - 7174
[4] Advanced Synthesis and Catalysis, 2010, vol. 352, # 17, p. 2892 - 2898 |
| | 3-METHYL-1-PHENYLPYRAZOLE Preparation Products And Raw materials |
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