| Identification | Back Directory | [Name]
5-Chloro-1H-pyrazole-3-carboxylic acid | [CAS]
881668-70-8 | [Synonyms]
5-Chloropyrazole-3-carboxylic Acid
5-Chloro-1H-pyrazole-3-carboxylic acid
1H-Pyrazole-3-carboxylicacid, 5-chloro- | [Molecular Formula]
C4H3ClN2O2 | [MDL Number]
MFCD09608056 | [MOL File]
881668-70-8.mol | [Molecular Weight]
146.53 |
| Chemical Properties | Back Directory | [Boiling point ]
445.6±25.0 °C(Predicted) | [density ]
1.714±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
3.61±0.10(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 5-chloro-pyrazole-3-carboxylic acid: a solution of potassium permanganate (3.5 g, 22 mmol) in water (120 mL) was added to a solution of 5-chloro-3-methylpyrazole (1.0 g, 8.8 mmol; see Intermediate (III) above) in water (50 mL) and tertiary butyl alcohol (1 mL) in batches over a period of 5 hours at 70 °C. The reaction mixture was stirred at 70 °C overnight and subsequently filtered through diatomaceous earth (Celite). The colorless filtrate was concentrated and acidified with 2 M aqueous hydrochloric acid. After filtration, 5-chloro-pyrazole-3-carboxylic acid was obtained as a white powder, which could be used directly without further purification (yield: 913 mg, 80%).1H-NMR (DMSO-d6) data: δ 6.80 (s, 1H), δ 4.40 (br s, 1H). | [References]
[1] Patent: WO2007/45868, 2007, A1. Location in patent: Page/Page column 43
[2] Patent: WO2007/51981, 2007, A1. Location in patent: Page/Page column 48; 49
[3] Patent: WO2007/45868, 2007, A1. Location in patent: Page/Page column 50-51
[4] Patent: WO2006/32851, 2006, A1. Location in patent: Page/Page column 41; 42
[5] Patent: WO2008/129280, 2008, A1. Location in patent: Page/Page column 46-47 |
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http://www.zeroschem.com |
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