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【结 构 式】 
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【分子编号】36307 【品名】1,4-benzoxazepine-3,5(2H,4H)-dione 【CA登记号】 |
【 分 子 式 】C9H7NO3 【 分 子 量 】177.15952 【元素组成】C 61.02% H 3.98% N 7.91% O 27.09% |
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：(I)Alkylation of 2,3,4,5-tetrahydro-1,4-benzoxazepin-3,5-dione (I) with 1-bromo-4-chlorobutane (II) in the presence of K2CO3 afforded the 4-(chlorobutyl)benzoxazepindione (III), which was further treated with POCl3 in boiling dioxan to yield the 3-chlorobenzoxazepinone (IV). Condensation of (IV) with 4-(2-pyridyl)-1,2,5,6-tetrahydropyridine (V) using NaI and Et3N in hot DMF provided the target compound, which was isolated as the dihydrochloride salt.
| 【1】 Tatsuoka, T.; Kamei, K.; Maeda, N.; Inoue, T.; Nishimura, M.; Hirotsu, I. (Suntory Ltd.); Benzoxazepine derivs., salts thereof, and drugs containing the same. EP 0755930; WO 9624594 . |
| 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) | 36307 | 1,4-benzoxazepine-3,5(2H,4H)-dione | C9H7NO3 | 详情 | 详情 | |
| (II) | 16141 | 1-bromo-4-chlorobutane | 6940-78-9 | C4H8BrCl | 详情 | 详情 |
| (III) | 36308 | 4-(4-chlorobutyl)-1,4-benzoxazepine-3,5(2H,4H)-dione | C13H14ClNO3 | 详情 | 详情 | |
| (IV) | 36309 | 3-chloro-4-(4-chlorobutyl)-1,4-benzoxazepin-5(4H)-one | C13H13Cl2NO2 | 详情 | 详情 | |
| (V) | 36310 | 4-(2-pyridinyl)-1,2,3,6-tetrahydropyridine | C10H12N2 | 详情 | 详情 |
Extended Information