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| | 1-METHYL-5-NITROIMIDAZOLE Basic information |
| | 1-METHYL-5-NITROIMIDAZOLE Chemical Properties |
| Melting point | 54-57 °C | | Boiling point | 328.9±15.0 °C(Predicted) | | density | 1.44±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Solid | | pka | 2.13±0.10(Predicted) | | color | Pale Yellow | | BRN | 123550 | | InChI | 1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3 | | InChIKey | JLZXSFPSJJMRIX-UHFFFAOYSA-N | | SMILES | Cn1cncc1[N+]([O-])=O |
| Hazard Codes | Xn | | Risk Statements | 22 | | WGK Germany | 3 | | RTECS | NI7530000 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 1-METHYL-5-NITROIMIDAZOLE Usage And Synthesis |
| Chemical Properties | Pale Yellow Solid | | Uses | 1-Methyl-5-nitroimidazole is used in the synthesis of new 5-nitroimidazoles as potential antibacterial drugs via VNS procedure. | | Synthesis | Example 2: 202 parts of 5-nitroimidazole were dissolved in 600 parts of 90% formic acid, followed by the addition of 250 parts of dimethyl sulfate. The reaction mixture was heated and kept for 6 hours. Upon completion of the reaction, the formic acid was removed by vacuum distillation. To the residue was added 420 parts of water and the mixture was cooled to 0°C to 5°C. The unreacted 5-nitroimidazole (60 parts) was separated by centrifugation. The pH of the mixture was adjusted to 10 using a 25% aqueous ammonia solution and the precipitate was precipitated at 0 °C to 5 °C. One hundred and thirty parts of 1-methyl-5-nitroimidazole were finally obtained with a melting point of 58°C to 60°C and a yield of 82% of the theoretical value (based on 4(5)-nitroimidazole). | | References | [1] Patent: US4021442, 1977, A |
| | 1-METHYL-5-NITROIMIDAZOLE Preparation Products And Raw materials |
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