| Identification | Back Directory | [Name]
3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDE | [CAS]
16311-69-6 | [Synonyms]
LABOTEST-BB LT00847288
LABOTEST-BB LT00452914
5-(2-hydroxyethyl)-3,4-dimethylthiazol-
3 4-DIMETHYL-5(2-HYDROXYETHYL)THIAZOLIU&
3,4-DIMETHYL-5-(2-HYDROXYETHYL)THIAZOLIUM IODIDE
5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide
5-(2-hydroxyethyl)-3,4-dimethylthiazol-3-ium iodide
3,4-Dimethyl-5-(2-hydroxyethyl)thiazole-3-ium·iodide
5-(2-Hydroxyethyl)-3,4-diMethylthiazoliuM iodide 98%
2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol,iodide
Thiazolium,5-(2-hydroxyethyl)-3,4-dimethyl-, iodide (1:1)
5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide,3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide | [EINECS(EC#)]
240-394-3 | [Molecular Formula]
C7H12INOS | [MDL Number]
MFCD00011958 | [MOL File]
16311-69-6.mol | [Molecular Weight]
285.15 |
| Chemical Properties | Back Directory | [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-] |
| Hazard Information | Back Directory | [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 |
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