| Identification | Back Directory | [Name]
1H-Pyrazole-3-carboxylicacid,4-chloro-(9CI) | [CAS]
84547-87-5 | [Synonyms]
4-Chloro-3-pyrazolecarboxylic acid
4-Chloropyrazole-3-carboxylic Acid
1H-Pyrazole-3-carboxylic acid, 4-chloro-
1H-pyrazole-5-carboxylic acid, 4-chloro-
1H-Pyrazole-3-carboxylicacid,4-chloro-(9CI)
4-chloro-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE) | [Molecular Formula]
C4H3ClN2O2 | [MDL Number]
MFCD01459881 | [MOL File]
84547-87-5.mol | [Molecular Weight]
146.53 |
| Chemical Properties | Back Directory | [Melting point ]
255-260°C | [Boiling point ]
389.8±22.0 °C(Predicted) | [density ]
1.714±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
solid | [pka]
2.70±0.25(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Synthesis]
A mixture of 4-chloro-3-methylpyrazole hydrochloride (20 mmol, 3.06 g; see step (a)) with potassium permanganate (50 mmol, 11.4 g) in 500 mL of water was stirred thoroughly. The mixture was first stirred at room temperature for 3 days, then warmed up to 70 °C and continued stirring for 5 hours. After completion of the reaction, the mixture was filtered and the filtrate was concentrated. To the concentrate was added 1 M aqueous hydrochloric acid (50 mL) followed by extraction with ethyl acetate (5 x 50 mL). The organic phases were combined, washed with saturated aqueous sodium chloride, dried over anhydrous sodium sulfate and concentrated to give 640 mg (22% yield) of the target product 4-chloro-1H-pyrazole-5-carboxylic acid as a white solid.1H NMR (DMSO-d6, 400 MHz) δ 13.47 (br s, 2H), 7.92 (br s, 1H). | [References]
[1] Patent: WO2007/45868, 2007, A1. Location in patent: Page/Page column 49
[2] Patent: WO2007/51981, 2007, A1. Location in patent: Page/Page column 52 |
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