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| | 1-Methyl-1H-pyrazole-4-carbaldehyde Basic information |
| | 1-Methyl-1H-pyrazole-4-carbaldehyde Chemical Properties |
| Melting point | 29-34 °C | | Boiling point | 60-62°C/0.08mm | | density | 1.14±0.1 g/cm3(Predicted) | | Fp | >230 °F | | storage temp. | Inert atmosphere,2-8°C | | form | powder to lump to clear liquid | | pka | 0.17±0.10(Predicted) | | color | White or Colorless to Yellow to Orange | | Sensitive | Air Sensitive | | InChI | InChI=1S/C5H6N2O/c1-7-3-5(4-8)2-6-7/h2-4H,1H3 | | InChIKey | MYFZXSOYJVWTBL-UHFFFAOYSA-N | | SMILES | N1(C)C=C(C=O)C=N1 | | CAS DataBase Reference | 25016-11-9(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 37/38-41-43 | | Safety Statements | 26-36/37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29331990 |
| | 1-Methyl-1H-pyrazole-4-carbaldehyde Usage And Synthesis |
| Uses | 1-Methyl-1H-pyrazole-4-carbaldehyde is a pharmaceutical intermediate used in the synthesis of the CHK1 inhibitor MK-8776. | | Synthesis |
Using cyclopropyl methyl ketone and dimethoxy-N, N-dimethylmethylamine as starting materials, the target product 1-Methyl-1H-pyrazole-4-carbaldehyde was obtained through aldol condensation, hydrazine condensation cyclization, selective methylation reaction and Vilsmeier-Hack reaction in sequence, with a total yield of up to 48.0%.
| | References | [1] Patent: WO2008/144767, 2008, A1. Location in patent: Page/Page column 117
[2] Patent: EP1762568, 2007, A1. Location in patent: Page/Page column 62
[3] Patent: EP1785418, 2007, A1. Location in patent: Page/Page column 78
[4] Patent: WO2008/153870, 2008, A1. Location in patent: Page/Page column 29
[5] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 1, p. 471 - 474 |
| | 1-Methyl-1H-pyrazole-4-carbaldehyde Preparation Products And Raw materials |
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