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| | 1,3-DIMETHYL-1H-PYRAZOLE-5-CARBALDEHYDE Basic information |
| Product Name: | 1,3-DIMETHYL-1H-PYRAZOLE-5-CARBALDEHYDE | | Synonyms: | 1,3-DIMETHYLPYRAZOLE-5-CARBOXALDEHYDE;1,3-DIMETHYL-1H-PYRAZOLE-5-CARBALDEHYDE;1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXALDEHYDE;AKOS B015985;2,5-DIMETHYL-2 H-PYRAZOLE-3-CARBALDEHYDE;ART-CHEM-BB B015985;1,3-Dimethylpyrazole-5-carbaldehyde;1,3-Dimethyl-1h-pyrazole-5-carbaldehyde, 90+% | | CAS: | 25016-09-5 | | MF: | C6H8N2O | | MW: | 124.14 | | EINECS: | | | Product Categories: | | | Mol File: | 25016-09-5.mol |  |
| | 1,3-DIMETHYL-1H-PYRAZOLE-5-CARBALDEHYDE Chemical Properties |
| Melting point | 40-42°C | | Boiling point | 80-83 °C(Press: 12 Torr) | | density | 1.11±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | solid | | pka | 1.03±0.10(Predicted) | | Appearance | Colorless to light yellow Liquid | | InChI | 1S/C6H8N2O/c1-5-3-6(4-9)8(2)7-5/h3-4H,1-2H3 | | InChIKey | JWYFGNVBKRJGTN-UHFFFAOYSA-N | | SMILES | O=CC1=CC(C)=NN1C | | CAS DataBase Reference | 25016-09-5(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39-37/39 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 29331990 | | Storage Class | 11 - Combustible Solids |
| | 1,3-DIMETHYL-1H-PYRAZOLE-5-CARBALDEHYDE Usage And Synthesis |
| Chemical Properties | Colorless to light yellow liquid | | Synthesis | Step 2: Preparation of 2,5-dimethyl-2H-pyrazole-3-carbaldehyde (15)
A mixture of compound 14 (1,3-dimethyl-5-hydroxymethyl-1H-pyrazole, 3 g, 23.8 mmol) with pyridinium dichromate (13.4 g, 35.7 mmol) in dichloromethane (100 ml) was reacted for 16 hrs at 25°C under nitrogen protection with stirring. After completion of the reaction, the reaction mixture was filtered and the filtrate was collected. The filtrate was dried over anhydrous Na2SO4 and concentrated under reduced pressure to remove the solvent. The resulting crude product was purified by silica gel column chromatography to afford the target product 2,5-dimethyl-2H-pyrazole-3-carbaldehyde (15) as a 1 g brown solid in 34% yield.
Product characterization data:
1H NMR (200 MHz, CDCl3): δ 9.8 (s, 1H), 6.6 (s, 1H), 4.1 (s, 3H), 2.3 (s, 3H).
Mass spectrum (CI method, isobutane): 125 (M + 1, 100%).
IR spectrum (KBr, cm-1): νmax 1688. | | References | [1] Patent: US2006/128729, 2006, A1. Location in patent: Page/Page column 98
[2] Patent: WO2005/9941, 2005, A1. Location in patent: Page 45-46
[3] Patent: WO2009/101082, 2009, A1. Location in patent: Page/Page column 71 |
| | 1,3-DIMETHYL-1H-PYRAZOLE-5-CARBALDEHYDE Preparation Products And Raw materials |
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