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| | 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester Basic information |
| Product Name: | 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester | | Synonyms: | ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CARBOXYLATE;Ethyl 2-(methylthio)-5-pyrimidinecarboxylate;ETHYL 2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE;2-METHYLTHIO-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER;ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CAROXYLATE;2-(Methylthio)-5-pyr;Ethyl 2-(methylsulphanyl)pyrimidine-5-carboxylate, Ethyl 2-(methylmercapto)pyrimidine-5-carboxylate;2-Methylsulfanyl-pyriMidine-5-carboxylic acid | | CAS: | 73781-88-1 | | MF: | C8H10N2O2S | | MW: | 198.24 | | EINECS: | 1533716-785-6 | | Product Categories: | Heterocycles;Heterocyclic Compound | | Mol File: | 73781-88-1.mol |  |
| | 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester Chemical Properties |
| Melting point | 38-40 °C | | Boiling point | 313.5±15.0 °C(Predicted) | | density | 1.24±0.1 g/cm3(Predicted) | | storage temp. | Storage temp. 2-8°C | | pka | -0.77±0.22(Predicted) | | Appearance | White to off-white Solid | | InChI | InChI=1S/C8H10N2O2S/c1-3-12-7(11)6-4-9-8(13-2)10-5-6/h4-5H,3H2,1-2H3 | | InChIKey | LVNRRUKCFUSBDL-UHFFFAOYSA-N | | SMILES | C1(SC)=NC=C(C(OCC)=O)C=N1 | | CAS DataBase Reference | 73781-88-1(CAS DataBase Reference) |
| | 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester Usage And Synthesis |
| Synthesis |
To the stirred solution of ethyl 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylate (4.0 g, 17.2 mmol) in ethanol in a hydrogenation vessel, Na2CO3 (1.4 g, 16.7 mmol) and 10% Pd-C (2.0 g) were added and degassed for about 10 min. The reaction mixture was kept in a hydrogenation parr shaker (60 psi) for 48 h. The reaction mixture was filtered through the elite, washed with ethanol, and concentrated under reduced pressure to get 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester as a pale yellow liquid (3.3 g. yield: 98.2 g, %).
| | References | [1] Patent: US2016/333004, 2016, A1. Location in patent: Paragraph 0385
[2] Patent: US2008/227826, 2008, A1. Location in patent: Page/Page column 27-28
[3] Patent: WO2005/61465, 2005, A1. Location in patent: Page/Page column 61
[4] Patent: WO2008/53131, 2008, A1. Location in patent: Page/Page column 34-35
[5] Patent: WO2006/123121, 2006, A1. Location in patent: Page/Page column 17; 26 |
| | 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester Preparation Products And Raw materials |
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