1H-Imidazole-4-carboxylic acid methyl ester
methyl 4-imidazolecarboxylate
CAS: 17325-26-7
Molecular Formula: C5H6N2O2
1H-Imidazole-4-carboxylic acid methyl ester - Names and Identifiers
1H-Imidazole-4-carboxylic acid methyl ester - Physico-chemical Properties
| Molecular Formula | C5H6N2O2 |
| Molar Mass | 126.11 |
| Density | 1.46 g/cm3 |
| Melting Point | 154-156 °C (lit.) |
| Boling Point | 318.2±15.0 °C(Predicted) |
| Flash Point | 146.2°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.000368mmHg at 25°C |
| Appearance | Solid |
| Color | White |
| pKa | 10.89±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.53 |
| MDL | MFCD00216584 |
1H-Imidazole-4-carboxylic acid methyl ester - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29332900 |
| Hazard Class | IRRITANT |
1H-Imidazole-4-carboxylic acid methyl ester - Reference Information
| introduction | imidazole -4-methyl formate is white crystalline powder with a melting point between 154-156 c (lit.), a boiling point of 318.2±15.0 c (Predicted), a density of 1.46g/cm3 and an acidity coefficient (pKa) of 10.89±0.10(Predicted). It is a chemical intermediate, generally used according to regulations will not decompose, but also need to avoid oxidants. |
| Use | Imidazol-4-methyl formate has good physiological activity, such as as the active center functional group of most natural enzymes, it can participate in many important biochemical reactions, so it is known as "biocatalyst" or "biological ligand". At the same time, they also have anti-tumor, anti-inflammatory, lowering blood pressure and other pharmacological activities. For example, some aryl imidazole derivatives are also used as antagonists of glucagon receptor, 5-lipoxygenase and L-1 biosynthesis inhibitors. |
| synthesis method | dissolve 1H-imidazol-4-carboxylic acid methyl ester 1H-imidazol-4-carboxylic acid (5g,44.6mmol) in MeOH(100ml). Add H2SO4(10 ml) to the solution at 0°C. The resulting mixture was stirred overnight at 80°C. Concentrate the solvent under reduced pressure. The pH was adjusted to 9 with NaHCO3 aqueous solution and extracted with EtOAc. Concentrate the organic layer to obtain the product. The yield of 1H-NMR(400MHz;DMSO-d6) is 5.2g:δ3.74(s,3H),7.79(bs,2H),12.75(bs,1H). LC-MS:[M 1]= 127.23. The compound was judged to be imidazol-4-methyl formate by nuclear magnetic resonance and mass spectrometry. |
Last Update：2024-04-09 20:48:19
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