1-Methyl-1H-pyrazole-4-carbaldehyde CAS 25016-11-9
Introduction：Basic information about 1-Methyl-1H-pyrazole-4-carbaldehyde CAS 25016-11-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1-Methyl-1H-pyrazole-4-carbaldehyde Basic information
| Product Name: | 1-Methyl-1H-pyrazole-4-carbaldehyde |
| Synonyms: | 1-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE;1-METHYL-1H-PYRAZOLE-4-CARBOXALDEHYDE;AKOS PAO-0259;AKOS B000400;IFLAB-BB F2124-0695;CHEMBRDG-BB 4301129;ASINEX-REAG BAS 00468061;ART-CHEM-BB B000400 |
| CAS: | 25016-11-9 |
| MF: | C5H6N2O |
| MW: | 110.11 |
| EINECS: | 627-692-2 |
| Product Categories: | Aldehydes;Pyrazoles & Triazoles;Pyrazoles & Triazoles;Building Blocks;Heterocyclic Building Blocks;Pyrazoles |
| Mol File: | 25016-11-9.mol |
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) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 37/38-41-43 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29331990 |
| 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
| Raw materials | 1H-Pyrazole-4-carboxaldehyde-->1-Methylpyrazole-->N,N-Dimethylformamide-->Iodomethane-->Sodium hydroxide |
| Preparation Products | (1-Methyl-1H-pyrazol-4-yl)methanol |
