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| | 2,4-Dichloropyrido[3,4-d]pyrimidine Basic information |
| Product Name: | 2,4-Dichloropyrido[3,4-d]pyrimidine | | Synonyms: | 2,4-dichloropyrido[3,4-d]pyrimidine;2,4-dichioropyrido[3,4-d]pyrimidine;2,4-Dichloropyrido[3,4-d]pyrimidine 96%;oropyrido[3,4-d]pyrimidine;Pyrido[3,4-d]pyrimidine, 2,4-dichloro-;2,4-Dichloropyrido[3,4-d]pyrimidine ISO 9001：2015 REACH | | CAS: | 908240-50-6 | | MF: | C7H3Cl2N3 | | MW: | 200.02 | | EINECS: | | | Product Categories: | CHIRAL CHEMICALS | | Mol File: | 908240-50-6.mol | ![2,4-Dichloropyrido[3,4-d]pyrimidine Structure](CAS/GIF/908240-50-6.gif) |
| | 2,4-Dichloropyrido[3,4-d]pyrimidine Chemical Properties |
| Boiling point | 302.4±24.0 °C(Predicted) | | density | 1.573 | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | 1.30±0.30(Predicted) | | Appearance | Light yellow to yellow Solid | | InChI | InChI=1S/C7H3Cl2N3/c8-6-4-1-2-10-3-5(4)11-7(9)12-6/h1-3H | | InChIKey | YJUVYWACDUJBDG-UHFFFAOYSA-N | | SMILES | C1(Cl)=NC(Cl)=C2C=CN=CC2=N1 |
| | 2,4-Dichloropyrido[3,4-d]pyrimidine Usage And Synthesis |
| Synthesis | To a mixture of pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione (2b, 20.00 g, 122.60 mmol) and phosphorus oxychloride (POCl3, 328.03 g, 2.14 mol) in toluene (200 mL) was added dropwise N,N-diisopropylethylamine (DIEA, 31.69 g, 245.20 mmol ). The reaction mixture was stirred at 25 °C for 18 h to obtain a suspension. Upon completion of the reaction, the solvent and unreacted phosphorous trichloride were removed by distillation under reduced pressure. The residue was diluted with dichloromethane (DCM, 50 mL) and neutralized with DIEA to pH=7 at -20 °C. After concentration again, the residue was purified by silica gel column chromatography (eluent: 20-50% ethyl acetate/petroleum ether) to afford the target product 2,4-dichloropyrido[3,4-d]pyrimidine (2c, 20.00 g, 99.99 mmol, 82% yield) as a yellow solid. ), as a yellow solid. The product was confirmed by 1H NMR (400 MHz, CDCl3): δ 9.52 (s, 1H), 8.92 (d, J=5.6 Hz, 1H), 8.04 (d, J=5.6 Hz, 1H). the LCMS analysis showed m/z [M+H]+ of 200.0. | | References | [1] Patent: WO2018/198077, 2018, A2. Location in patent: Page/Page column 189; 197; 225; 226; 262; 263
[2] Patent: WO2014/151106, 2014, A1. Location in patent: Paragraph 00109
[3] Patent: WO2016/44429, 2016, A1. Location in patent: Paragraph 00154; 00156 |
| | 2,4-Dichloropyrido[3,4-d]pyrimidine Preparation Products And Raw materials |
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