4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine manufacturers
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| | 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine Basic information |
| Product Name: | 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine | | Synonyms: | 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine 98%;4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine;4,6-Dichloro-2-(Methylthio)-5-nitropyriMidine;2-Methylthio-4,6-dichloro-5-nitro-pyriMidine;4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine-3;Pyrimidine, 4,6-dichloro-2-(methylthio)-5-nitro-;4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine ISO 9001：2015 REACH | | CAS: | 1979-96-0 | | MF: | C5H3Cl2N3O2S | | MW: | 240.07 | | EINECS: | | | Product Categories: | | | Mol File: | 1979-96-0.mol |  |
| | 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine Chemical Properties |
| Melting point | 61 °C | | Boiling point | 360.4±37.0 °C(Predicted) | | density | 1.70±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | -8.04±0.39(Predicted) | | Appearance | White to light yellow Solid | | InChI | InChI=1S/C5H3Cl2N3O2S/c1-13-5-8-3(6)2(10(11)12)4(7)9-5/h1H3 | | InChIKey | GHAWBARMICSLQS-UHFFFAOYSA-N | | SMILES | C1(SC)=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1 |
| | 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine Usage And Synthesis |
| Uses | 4,6-Dichloro-2-(methylthio)-5-nitro-pyrimidine is a useful synthetic intermediate. It is used to prepare Cathepsin K inhibition SAR. It is also used to synthesize GS39783 (G797150) which is an allosteric positive modulator of GABAB receptors. | | Synthesis | Step 2: 4,6-Dihydroxy-2-methylthio-5-nitropyrimidine (9.30 g, 45.81 mmol) was mixed with phosphorus trichloride (40 mL) and diethylaniline (12 mL) and the reaction was carried out at reflux for 1 hour. Upon completion of the reaction, the reaction mixture was partially evaporated, followed by slow pouring of the remaining liquid into ice water to precipitate a brown solid. The solid product was collected by filtration and washed well with cold water. The resulting solid was dried under vacuum to afford 4,6-dichloro-2-methylthio-5-nitropyrimidine (10.5 g, 95% yield) as a brown solid. Low resolution mass spectra (LRMS) of the product showed m/z = 240 (corresponding to the [M + H]+ ion of C5H3Cl2N3O2S). Nuclear magnetic resonance (NMR) spectral analysis showed results consistent with the structure of the target compound. | | References | [1] Patent: US2007/270433, 2007, A1. Location in patent: Page/Page column 51
[2] Patent: US2008/4253, 2008, A1. Location in patent: Page/Page column 13
[3] Patent: US2009/156599, 2009, A1. Location in patent: Page/Page column 12
[4] Patent: WO2013/68438, 2013, A1. Location in patent: Page/Page column 29-30
[5] Patent: US2010/143301, 2010, A1. Location in patent: Page/Page column 45-46 |
| | 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine Preparation Products And Raw materials |
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