| Identification | Back Directory | [Name]
1-METHYL-1H-IMIDAZOLE-4-CARBALDEHYDE | [CAS]
17289-26-8 | [Synonyms]
1-Methyl-4-Formyl-imidazole
1-Methyl-1H-iMidazole-4-c...
4-Formyl-1-methyl-1H-imidazole
1-Methylimidazole-4-carbaldehyde
N-Methyl-imidazole-4-carbaldehyde
methyl-1H-imidaZole-4-carbaldehyde
1-METHYL-1H-IMIDAZOLE-4-CARBALDEHYDE
1-METHYL-1H-IMIDAZOLE-4-CARBOXALDEHYDE
1H-IMidazole-4-carboxaldehyde, 1-Methyl-
1-Methyl-1H-imidazole-4-carboxaldehyde98%
1-Methyl-1H-imidazole-4-carboxaldehyde 97% | [Molecular Formula]
C5H6N2O | [MDL Number]
MFCD03411957 | [MOL File]
17289-26-8.mol | [Molecular Weight]
110.11 |
| Chemical Properties | Back Directory | [Melting point ]
68-69℃ | [Boiling point ]
300.1±15.0 °C(Predicted) | [density ]
1.14±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly, Sonicated) | [form ]
Solid | [pka]
2.94±0.61(Predicted) | [color ]
Yellow to Dark Yellow | [InChI]
InChI=1S/C5H6N2O/c1-7-2-5(3-8)6-4-7/h2-4H,1H3 | [InChIKey]
CQZXDIHVSPZIGF-UHFFFAOYSA-N | [SMILES]
C1N(C)C=C(C=O)N=1 |
| Hazard Information | Back Directory | [Uses]
1-Methyl-1H-imidazole-4-carbaldehyde (cas# 17289-26-8) was identified in the methanolic extract of red Vitis Vinifera peel. | [Synthesis]
General procedure for the synthesis of 1-methyl-1H-imidazole-4-carboxaldehyde: (1-methyl-1H-imidazol-4-yl)methanol (5 g, 44.6 mmol) was dissolved in acetone (50 mL) under nitrogen protection and manganese dioxide (19.38 g, 223 mmol) was added slowly. The reaction mixture was stirred at 60°C for 12 hours. After completion of the reaction, the solid was removed by filtration and the filtrate was concentrated to afford the crude product 1-methyl-1H-imidazole-4-carbaldehyde (4.12 g, 34.4 mmol, 77% yield), which could be used in the subsequent reaction without further purification. m/z 111.2 ([M+H]+) and retention time 0.49 min were obtained by LC-MS analysis. | [References]
[1] Patent: WO2017/60854, 2017, A1. Location in patent: Page/Page column 475
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 19, p. 4728 - 4745 |
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