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| | 4-Methylthiazole-5-carboxylic acid Basic information |
| | 4-Methylthiazole-5-carboxylic acid Chemical Properties |
| Melting point | 287 °C (dec.) (lit.) | | Boiling point | 303.6±22.0 °C(Predicted) | | density | 1.338 (estimate) | | refractive index | 1.5480 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | DMSO | | form | solid | | pka | 1.16±0.31(Predicted) | | color | Off-White | | InChI | 1S/C5H5NO2S/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8) | | InChIKey | ZGWGSEUMABQEMD-UHFFFAOYSA-N | | SMILES | Cc1ncsc1C(O)=O | | CAS DataBase Reference | 20485-41-0(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 43-36/37/38 | | Safety Statements | 37/39-26 | | WGK Germany | 3 | | RTECS | XJ3680000 | | HazardClass | IRRITANT | | HS Code | 29341000 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Skin Sens. 1 |
| | 4-Methylthiazole-5-carboxylic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powde | | Uses | 4-Methylthiazole-5-carboxylic acid is used as a reagent to synthesize thiazolylimidazolidinone compounds that act as Stearoyl-CoA desaturase-1 (SCD1) inhibitors. These SCD1 inhibitors are used in the treatment of metabolic diseases. 4-Methylthiazole-5-carboxylic acid is also used as a reagent to synthesize 4-Methyl-5-formylthiazole, an important intermediate in the synthesis of Cefditoren pivoxil (C242700). | | Definition | ChEBI: 4-Methyl-thiazole-5-carboxylic acid is an aromatic carboxylic acid and a member of thiazoles. | | Synthesis | A mechanical stirrer, thermometer and constant pressure dropping funnel were assembled in a 10 L glass reactor and 1 mole of phosphorus pentasulfide (P4S10) and 6 kg of ethylene glycol dimethyl ether were added as solvent under nitrogen protection. Under stirring conditions, 5 moles of formamide was slowly added dropwise and the reaction lasted for 2 hours. Subsequently, 5 moles of ethyl 2-chloroacetoacetate was added dropwise and the reaction was carried out at room temperature for 608 hours. Upon completion of the reaction, the reaction mixture was cooled to 10 °C and the white solid product was collected by filtration. The solid product was dissolved in 4 times its weight in water and the pH was adjusted to 7-8 with 20% sodium hydroxide solution. filtration at 0-5 °C gave ethyl 4-methylthiazole-5-carboxylate as a white solid with 99% purity and 95.8% molar yield. | | References | [1] Patent: CN105130924, 2017, B. Location in patent: Paragraph 0021; 0022 |
| | 4-Methylthiazole-5-carboxylic acid Preparation Products And Raw materials |
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