• English
  • 简体中文
Login Register
Current Location: Home > Feedback Help Print

【结 构 式】

【分子编号】36308

【品名】4-(4-chlorobutyl)-1,4-benzoxazepine-3,5(2H,4H)-dione

【CA登记号】

【 分 子 式 】C13H14ClNO3

【 分 子 量 】267.7118

【元素组成】C 58.33% H 5.27% Cl 13.24% N 5.23% O 17.93%

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)

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