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| | 1,3-Dimethylpyrazole-5-carboxylic acid Basic information |
| | 1,3-Dimethylpyrazole-5-carboxylic acid Chemical Properties |
| Melting point | 208-213 °C | | Boiling point | 302.4±22.0 °C(Predicted) | | density | 1.28±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | solubility | Chloroform (Slightly, Heated), Methanol (Slightly) | | form | Solid | | pka | 3.11±0.25(Predicted) | | color | White | | InChI | 1S/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10) | | InChIKey | QRWZFUBHOQWUGH-UHFFFAOYSA-N | | SMILES | Cc1cc(C(O)=O)n(C)n1 | | CAS DataBase Reference | 5744-56-9(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36/37/39-22-24/25 | | RIDADR | 2811 | | WGK Germany | 1 | | HazardClass | IRRITANT | | HS Code | 29331990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 1,3-Dimethylpyrazole-5-carboxylic acid Usage And Synthesis |
| Chemical Properties | White or off-white solid | | Uses | 1,3-Dimethylpyrazole-5-carboxylic acid (HL) serves as a ligand that reacts with M(OAc)2·4H2O (M = Cu or Co) in warm methanol to form the complexes [CuL2(H2O)2] and [CoL2(MeOH)4], in which the deprotonated acid coordinates to the metal ions in a monodentate fashion[3]. | | Synthesis | 1. 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid methyl ester (5.14 kg) was slowly added to 20% aqueous sodium hydroxide solution (10 L) at 0 °C. 2. The reaction mixture was stirred at room temperature for 18 hours and then cooled to 0 °C. 3. Concentrated hydrochloric acid (4.2 L) was added slowly to the reaction mixture over a period of 7 hours. 4. The thick slurry formed was stirred for 18 hours at room temperature. 5. Stirring was continued at room temperature for 18 h. 5. The reaction mixture was filtered and the solid product was washed with water (500 mL). 6. The solid product was dried in a vacuum oven at 70 °C and 26 mmHg for 18 h to give 1,3-dimethyl-1H-pyrazole-5-carboxylic acid (3.8 kg, 81% yield, HPLC purity >97%). | | References | [1] Patent: WO2006/48761, 2006, A2. Location in patent: Page/Page column 33
[2] Gazzetta Chimica Italiana, 1956, vol. 86, p. 797,808
[3] Jacimovic, Z., Kosovic, M., Novakovic, S., Giester, G., & Radovic, A. (2015). Synthesis and crystal structure of Cu(II) and Co(II) complexes with 1,3-dimethyl-pyrazole-5-carboxylic acid ligand. Journal of the Serbian Chemical Society, 80(7), 867–875. https://doi.org/10.2298/jsc140722009j |
| | 1,3-Dimethylpyrazole-5-carboxylic acid Preparation Products And Raw materials |
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