Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Sodium Iodide | HCID 5238 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 5-chloro-2-(chloromethyl)-1,3-benzothiazole | HCID 10798839 | — |
| Reactant | HCID 178510223 | HCID 178510223 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 59402661 | HCID 59402661 | 7.5% |
Reaction Steps
2-Hydroxy-4-cyano-pyridine (240 mg, 2 mmol, 1 equiv.) was dissolved in DMF (6 ml), K2CO3 (415 mg, 3 mmol, 1.5 equiv.) and NaI (60 mg, 0.4 mmol, 0.2 equiv.) were added and the mixture was stirred at r.t. for 10 min. 5-Chloro-2-(chloromethyl)-1,3-benzothiazole (436 mg, 2 mmol, 1 equiv.) was added and the reaction mixture was stirred at 60° C. for 3 h and at r.t. overnight. By addition of H2O, brown solid precipitated, which was filtered, rinsed with H2O, dried and re-crystallised from CH3CN. Yield 280 mg (46%), mp 224-227° C., HPLC-MS (method 1): m/z 302 [M+H]+, Rt=3.80 min. By 13C-NMR analysis it was identified to be the N-alkylated derivative (Scheme 24). The DMF-H2O mother liquors were evaporated to dryness under reduced pressure and the residue was purified by column chromatography on silica, eluted with EtOAc/hexane (10%-100% gradient) to give 45 mg (7.5% yield) of a brown solid, HPLC-MS (method 1): m/z 302 [M+H]+, Rt=4.86 min. By 13C-NMR analysis, it was identified to be the desired O-alkylated derivative (Scheme 24).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08088791B2 |
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| Source dataset | uspto-grants-2012_01 |
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| ORD ID | ord-1ef76673363345b1902669e2499f6e99 |
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| Source note | uspto-grants-2012_01 |
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