| Identification | More | [Name]
2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester | [CAS]
73781-88-1 | [Synonyms]
2-METHYLTHIO-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER
Ethyl 2-(methylthio)-5-pyrimidinecarboxylate
ETHYL 2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE
ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CARBOXYLATE
ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CAROXYLATE | [EINECS(EC#)]
1533716-785-6 | [Molecular Formula]
C8H10N2O2S | [MDL Number]
MFCD07779178 | [Molecular Weight]
198.24 | [MOL File]
73781-88-1.mol |
| Chemical Properties | Back Directory | [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) |
| Hazard Information | Back Directory | [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 |
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