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| | 3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDE Basic information |
| Product Name: | 3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDE | | Synonyms: | LABOTEST-BB LT00847288;LABOTEST-BB LT00452914;5-(2-hydroxyethyl)-3,4-dimethylthiazol-;5-(2-hydroxyethyl)-3,4-dimethylthiazol-3-ium iodide;Thiazolium,5-(2-hydroxyethyl)-3,4-dimethyl-, iodide (1:1);3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDE;5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide;3 4-DIMETHYL-5(2-HYDROXYETHYL)THIAZOLIU& | | CAS: | 16311-69-6 | | MF: | C7H12INOS | | MW: | 285.15 | | EINECS: | 240-394-3 | | Product Categories: | | | Mol File: | 16311-69-6.mol |  |
| | 3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDE Chemical Properties |
| Melting point | 82-85 °C(lit.) | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | Appearance | Light brown to brown Solid | | InChI | InChI=1S/C7H12NOS.HI/c1-6-7(3-4-9)10-5-8(6)2;/h5,9H,3-4H2,1-2H3;1H/q+1;/p-1 | | InChIKey | GDNOYVMHHMSZJV-UHFFFAOYSA-M | | SMILES | C1(CCO)SC=[N+](C)C=1C.[I-] |
| | 3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDE Usage And Synthesis |
| Synthesis | General procedure: 4-methyl-5-hydroxyethyl thiazole (3.0 g, 21.0 mmol) was mixed with iodomethane (2.64 mL, 42.0 mmol) and heated to reflux for 2 hours. Upon completion of the reaction, excess iodomethane was removed by evaporation. Ether (50 mL) was added to the residual brown slurry and stirred for 30 minutes to promote crystallization. The precipitate was collected by filtration to afford 5-(2-hydroxyethyl)-3,4-dimethylthiazol-3-ium iodide (17) as a light yellow solid (5.76 g, 96.3% yield). The melting point of the product was 82-84 °C; 1H NMR (D2O, ppm): δ 4.14 (s, 3H, CH3N), 3.90 (t, 2H, CH2CH2O, J = 5.6 Hz), 3.19 (t, 2H, CH2CH2O, J = 6.0 Hz), 2.53 (s, 3H, CCH3). | | References | [1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 9, p. 3651 - 3661
[2] Molecules, 2016, vol. 21, # 4,
[3] Patent: CN106543194, 2017, A. Location in patent: Paragraph 0079; 0080; 0081
[4] Tetrahedron, 2008, vol. 64, # 37, p. 8797 - 8800
[5] Journal of the American Chemical Society, 1935, vol. 57, p. 1849 |
| | 3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDE Preparation Products And Raw materials |
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