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| | 4-Hydroxymethylthiazole Basic information |
| Product Name: | 4-Hydroxymethylthiazole | | Synonyms: | 4-Hydroxymethylthiaz;4-HydroxyMethylthiazole CAS7036-04-6;4-(Hydroxymethyl)-1,3-thiazole95%;THIAZOLE-4-METHANOL;1,3-THIAZOL-4-YLMETHANOL;4-HYDROXYMETHYLTHIAZOLE;4-(Hydroxymethyl)-1,3-thiazole;4-(Hydroxymethyl)-1,3-thiazole 95% | | CAS: | 7036-04-6 | | MF: | C4H5NOS | | MW: | 115.15 | | EINECS: | | | Product Categories: | blocks;Thiazoles | | Mol File: | 7036-04-6.mol |  |
| | 4-Hydroxymethylthiazole Chemical Properties |
| Melting point | 112-114 °C(Solv: ethyl ether (60-29-7); ethanol (64-17-5)) | | Boiling point | 85-90/0.5mm | | density | 1.339±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | liquid | | pka | 13.21±0.10(Predicted) | | color | colourless | | InChI | InChI=1S/C4H5NOS/c6-1-4-2-7-3-5-4/h2-3,6H,1H2 | | InChIKey | WQVOUANKVCYEIQ-UHFFFAOYSA-N | | SMILES | S1C=C(CO)N=C1 | | CAS DataBase Reference | 7036-04-6(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 37/38-41 | | Safety Statements | 26-39 | | Hazard Note | Irritant | | HS Code | 2934100090 |
| | 4-Hydroxymethylthiazole Usage And Synthesis |
| Chemical Properties | Off-yellow oily liquid | | Uses | 4-Hydroxymethylthiazole is mainly used as a pharmaceutical intermediate.
| | Synthesis | The general procedure for the synthesis of 4-hydroxymethylthiazole from ethyl 4-thiazolecarboxylate was as follows:
- Lithium aluminum hydride (1M tetrahydrofuran solution, 1.5 mL) was slowly added dropwise to a stirred tetrahydrofuran solution (4 mL) of ethyl 4-thiazolecarboxylate (224 mg) at 0 °C.
- The reaction mixture was naturally warmed to room temperature with stirring for 1 hour.
- Ethyl acetate (20 mL), water (1 mL), 2M sodium hydroxide solution (2 mL), and water (3 mL) were added sequentially to the reaction mixture.
- The precipitate formed was removed by filtration through diatomaceous earth (iT).
- The filtrate was concentrated to give 4-hydroxymethylthiazole (150 mg, 92% yield).
- Nuclear magnetic resonance hydrogen spectroscopy (DMSO-d6) data: δ 4.12 (s, 2H), 7.47 (s, 1H), 9.03 (s, 1H). | | References | [1] Patent: WO2005/61465, 2005, A1. Location in patent: Page/Page column 62
[2] European Journal of Medicinal Chemistry, 2018, vol. 154, p. 367 - 391 |
| | 4-Hydroxymethylthiazole Preparation Products And Raw materials |
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