| Identification | Back Directory | [Name]
METHYL 4-(1H-PYRAZOL-3-YL) BENZOATE | [CAS]
179057-10-4 | [Synonyms]
Methyl 4-(3-pyrazolyl)benzoate
Methyl 4-(1H-pyrazol-5-yl)benzoate
METHYL 4-(1H-PYRAZOL-3-YL) BENZOATE
4-(1H-Pyrazol-3-yl)-benzoic acid methyl ester
Benzoic acid, 4-(1H-pyrazol-3-yl)-, methyl ester | [Molecular Formula]
C11H10N2O2 | [MDL Number]
MFCD11226146 | [MOL File]
179057-10-4.mol | [Molecular Weight]
202.21 |
| Chemical Properties | Back Directory | [Boiling point ]
408.1±28.0 °C(Predicted) | [density ]
1.231±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
12.61±0.10(Predicted) |
| Hazard Information | Back Directory | [Synthesis]
4-(1H-pyrazol-3-yl)benzoic acid (0.30 g, 1.6 mmol) and iodomethane (0.34 g, 2.4 mmol) were used as raw materials, and the reaction was stirred for 1 h at room temperature with the addition of K2CO3 (0.66 g, 7.78 mmol) in DMF (8 mL) (the progress of the reaction was monitored by TLC, and the unfolding agent was 10% MeOH/CHCl3). . After completion of the reaction, the mixture was diluted with water (30 mL) and extracted with EtOAc (2 x 30 mL). The organic layers were combined, washed sequentially with water and brine, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford methyl 4-(1H-pyrazol-3-yl)benzoate (0.31 g, 96% yield). The product was characterized by 1H NMR (DMSO-d6): δ 13.10 (br s, 1H), 7.98 (m, 4H), 7.80 (br s, 1H), 6.83 (d, J = 2.2 Hz, 1H), 3.86 (s, 3H). | [References]
[1] Patent: WO2007/103456, 2007, A2. Location in patent: Page/Page column 120 |
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