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| | 5-Pyrazolecarboxylic acid Basic information |
| | 5-Pyrazolecarboxylic acid Chemical Properties |
| Melting point | 211°C | | Boiling point | 417.1±18.0 °C(Predicted) | | density | 1.524±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | pka | 3.98±0.10(Predicted) | | form | Powder | | color | White | | λmax | 260nm(MeOH)(lit.) | | InChI | InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8) | | InChIKey | KOPFEFZSAMLEHK-UHFFFAOYSA-N | | SMILES | N1C=CC(C(O)=O)=N1 | | CAS DataBase Reference | 1621-91-6(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 38 | | Safety Statements | 24/25 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 29331990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Skin Irrit. 2 |
| | 5-Pyrazolecarboxylic acid Usage And Synthesis |
| Chemical Properties | White to light brown powder | | Uses | 1H-pyrazole-3-carboxylic Acid is a histone lysine demethylase KDM4C and proline racemase inhibitor. | | Synthesis | The general procedure for the synthesis of pyrazole-3-carboxylic acid from 3-methylpyrazole was as follows: an aqueous solution of potassium permanganate (KMnO4, 40.9 g, 0.26 mol) was slowly added to a stirring solution of 3-methyl-1H-pyrazole (9.8 mL, 0.12 mol) dissolved in 0.5 L of water. The reaction mixture was heated to reflux and maintained for 5 hours. After completion of the reaction, the black suspension was cooled and filtered. The filtrate was concentrated to a smaller volume and acidified with 3 N hydrochloric acid (HCl). Subsequently, the precipitated white solid product was collected and washed with ethyl ether (Et2O) to give the final pyrazole-3-carboxylic acid in 100% yield. | | References | [1] Journal of the American Chemical Society, 2000, vol. 122, # 44, p. 10810 - 10820
[2] Patent: WO2004/80999, 2004, A1. Location in patent: Page 43
[3] Russian Journal of Physical Chemistry, 1992, vol. 66, # 4, p. 463 - 465
[4] Zhurnal Fizicheskoi Khimii, 1992, vol. 66, # 4, p. 871 - 874
[5] Organic Mass Spectrometry, 1982, vol. 17, # 7, p. 299 - 303 |
| | 5-Pyrazolecarboxylic acid Preparation Products And Raw materials |
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