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【结 构 式】 
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【分子编号】62794 【品名】1-{[(dimethylamino)carbonyl]oxy}-3-methylpyridinium chloride 【CA登记号】 |
【 分 子 式 】C9H13ClN2O2 【 分 子 量 】216.6672 【元素组成】C 49.89% H 6.05% Cl 16.36% N 12.93% O 14.77% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(III)3-Picoline (I) is oxidized to the corresponding N-oxide (II) by means of peracetic acid. Condensation of (II) with dimethylcarbamoyl chloride furnishes carbamate (III), which is then reacted with cyanotrimethylsilane, producing 2-cyano-5-methylpyridine (IV). Subsequent addition of methylmagnesium iodide to the cyanopyridine (IV) gives rise to the pyridyl ketone (V).
| 【1】 Easmon, J.; Fürtinger, S.; Lackner, G. ; Magreiter, E.; Hofmann, J.; Heinisch, G.; Puerstinger, G.; Hydrazones derived from monosubstitued 2-acetylpyridines and 2-hydrazino-1-methylbenzimidazole: Synthesis and biological studies. Eur J Cancer 2002, 38, Suppl. 7. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 62792 | 3-Methylpyridine; 3-Picoline | 108-99-6 | C6H7N | 详情 | 详情 |
| (II) | 62793 | 3-Methyl-1-pyridiniumolate; 3-Picoline N-oxide | 1003-73-2 | C6H7NO | 详情 | 详情 |
| (III) | 62794 | 1-{[(dimethylamino)carbonyl]oxy}-3-methylpyridinium chloride | C9H13ClN2O2 | 详情 | 详情 | |
| (IV) | 38502 | 5-methyl-2-pyridinecarbonitrile | C7H6N2 | 详情 | 详情 | |
| (V) | 62795 | 1-(5-methyl-2-pyridinyl)-1-ethanone | C8H9NO | 详情 | 详情 |
Extended Information