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【结 构 式】 
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【药物名称】Tapentadol Hydrochloride, CG5503，BN200 【化学名称】(-)-(1R,2R)-3-(3-Dimethylamino-1-ethyl-2-methylpropyl)phenol hydrochloride 【CA登记号】175591-09-0, 175591-23-8 (as free base) 【 分 子 式 】C14H23NO.HCl 【 分 子 量 】257.80 |
【开发单位】Grünenthal GmbH (DE). 【药理作用】Analgesic, Mu-opioid receptor agonist, Noradrenaline reuptake inhibitor |
合成路线1
| 【1】 Buschmann HH, Hell W.2006.Separation of stereoisomeric N,N-dialkylamino-2-alkyl-3-phenyl alkanes. WO 2006/125675. |
| 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) | 35984 | bromo(3-methoxyphenyl)magnesium | 36282-40-3 | C7H7BrMgO | 详情 | 详情 |
| (II) | 67431 | 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol | C15H25NO2 | 详情 | 详情 | |
| (III) | 67432 | (3S,4R)-3-(3-methoxyphenyl)-4,6-dimethylheptan-3-ol | C16H26O2 | 详情 | 详情 | |
| (IV) | 67433 | 1-((3S,4R)-3-chloro-4,6-dimethylheptan-3-yl)-3-methoxybenzene | C16H25ClO | 详情 | 详情 | |
| (V) | 67434 | 1-((3R,4R)-4,6-dimethylheptan-3-yl)-3-methoxybenzene | C16H26O | 详情 | 详情 |
合成路线2
| 【1】 Hell W.2008.Preparation of 3-[(1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl) phenol]. WO 2008/012046. |
| 【2】 Hell W, Zimmer O, Buschmann HH, et al.2008.Process for the preparation of (1R,2R)-3-(3-dimethylamino-1-ethyl-2-methylpropyl) phenol. WO 2008/012047. Hell W, Zimmer O, Buschmann HH, et al.2008.Process for the preparation of (1R,2R)-3-(3-dimethylamino-1-ethyl-2-methylpropyl) phenol. WO 2008/012047. Hell W, Zimmer O, Buschmann HH, et al.2008.Process for the preparation of (1R,2R)-3-(3-dimethylamino-1-ethyl-2-methylpropyl) phenol. WO 2008/012047. Hell W, Zimmer O, Buschmann HH, et al.2008.Process for the preparation of (1R,2R)-3-(3-dimethylamino-1-ethyl-2-methylpropyl) phenol. WO 2008/012047. |
| 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) | 67435 | 1-(3-(benzyloxy)phenyl)propan-1-one | 37951-47-6 | C16H16O2 | 详情 | 详情 |
| (II) | 67436 | 1-(3-(benzyloxy)phenyl)-3-(dimethylamino)-2-methylpropan-1-one | C19H23NO2 | 详情 | 详情 | |
| (III) | 67437 | (R)-1-(3-(benzyloxy)phenyl)-3-(dimethylamino)-2-methylpropan-1-one (2R,3R)-2,3-bis(benzoyloxy)succinate | C19H23NO2.C18H14O8 | 详情 | 详情 | |
| (IV) | 67438 | (R)-1-(3-(benzyloxy)phenyl)-3-(dimethylamino)-2-methylpropan-1-one | C19H23NO2 | 详情 | 详情 | |
| (V) | 67439 | (2R,3S)-3-(3-(benzyloxy)phenyl)-1-(dimethylamino)-2-methylpentan-3-ol | C21H29NO2 | 详情 | 详情 |
Extended Information