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【结 构 式】 
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【分子编号】16389 【品名】3-[(1R,2R,4S)-7-azabicyclo[2.2.1]hept-2-yl]-1-pyridiniumolate 【CA登记号】 |
【 分 子 式 】C11H14N2O 【 分 子 量 】190.24504 【元素组成】C 69.45% H 7.42% N 14.72% O 8.41% |
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：(XXII)6) Nakai et al. used 3-lithio pyridine as a nucleophile to attack ketone (XX), yielding the tertiary alcohol (XXI) stereoselectively. Reductive elimination of the hydroxyl group followed by oxidation and acid hydrolysis gave N-oxide (XXII), which was treated with POCl3 to produce (I) and (XXIII) in low yields.
| 【1】 Bai, D.; Xu, R.; Zhu, X.; Epibatidine. Drugs Fut 1997, 22, 11, 1210. |
| 【2】 Senokuchi, K.; Nakai, H.; Kawamura, M.; et al.; Synthesis and biological evaluation of (±)-epibatidine and the congeners. Synlett 1994, 343-4. |
| 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) | 16385 | (+)-Epibatidine hydrochloride; (1R,2R,4S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane | 140111-52-0 | C11H13ClN2 | 详情 | 详情 |
| (XX) | 16387 | (1R,4S)-7-acetyl-7-azabicyclo[2.2.1]heptan-2-one | C8H11NO2 | 详情 | 详情 | |
| (XXI) | 16388 | 1-[(1R,2S,4S)-2-hydroxy-2-(3-pyridinyl)-7-azabicyclo[2.2.1]hept-7-yl]-1-ethanone | C13H16N2O2 | 详情 | 详情 | |
| (XXII) | 16389 | 3-[(1R,2R,4S)-7-azabicyclo[2.2.1]hept-2-yl]-1-pyridiniumolate | C11H14N2O | 详情 | 详情 | |
| (XXIII) | 16390 | (1R,2R,4S)-2-(2-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane | C11H13ClN2 | 详情 | 详情 |
Extended Information