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| | 1-Phenyl-1H-pyrazole-4-carboxylic acid Basic information |
| | 1-Phenyl-1H-pyrazole-4-carboxylic acid Chemical Properties |
| Melting point | 222-227℃ | | Boiling point | 379.6±15.0 °C(Predicted) | | density | 1.28±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | solid | | pka | 3.75±0.10(Predicted) | | Appearance | White to off-white Solid | | InChI | 1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14) | | InChIKey | ZROILLPDIUNLSE-UHFFFAOYSA-N | | SMILES | OC(=O)c1cnn(c1)-c2ccccc2 | | CAS DataBase Reference | 1134-50-5(CAS DataBase Reference) |
| Hazard Codes | Xi | | WGK Germany | 1 | | RTECS | UQ6436000 | | HazardClass | IRRITANT | | HS Code | 2933199090 | | Storage Class | 11 - Combustible Solids |
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ALFA
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| | 1-Phenyl-1H-pyrazole-4-carboxylic acid Usage And Synthesis |
| Synthesis | Steps: Sodium hydroxide was dissolved in a 100 mL three-neck reaction flask containing 20 mL of water under nitrogen protection and magnetic stirring. Subsequently, 1-phenyl-1H-pyrazole-4-carbaldehyde was added in one go. Persistent insoluble products were observed even at temperatures of 45-50 °C. Hydrogen peroxide was added to the suspension in six portions over a period of 50 min. After the reaction lasted for 5 h at 50 °C, monitoring by TLC showed that most of the raw material remained. Next, 10 mL of 1N NaOH solution (containing 0.4 g NaOH) and 5 g aqueous hydrogen peroxide were added. After continued stirring at 50 °C for 1 h, the insoluble product completely disappeared and TLC monitoring confirmed that the starting material had been completely consumed (color developer: dinitrophenylhydrazine). The reaction mixture was cooled to room temperature and poured into 150 mL of ice/2N HCl mixture (2:1 volume ratio). After stirring for 30 min, the white precipitate formed was filtered through a Brinell's funnel and washed three times with water. The precipitate was dissolved in 250 mL of ethyl acetate, dried over anhydrous magnesium sulfate, filtered and evaporated to dryness to give 2.25 g of white solid product (yield: 96%). | | References | [1] Inflammopharmacology, 2018, vol. 26, # 1, p. 217 - 226 [2] Patent: US2006/34786, 2006, A1. Location in patent: Page/Page column 62-63 [3] Chemical and Pharmaceutical Bulletin, 1980, vol. 28, # 4, p. 1265 - 1269 [4] Patent: US2009/239810, 2009, A1. Location in patent: Page/Page column 72 |
| | 1-Phenyl-1H-pyrazole-4-carboxylic acid Preparation Products And Raw materials |
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