1-[4-[3-chloro-5-oxo-1,4-benzoxazepin-4(5H)-yl]butyl]-4-(2-pyridinyl)pyridinium chloride -Drug Synthesis Database

【结构式】

【分子编号】36312

【品名】1-[4-[3-chloro-5-oxo-1,4-benzoxazepin-4(5H)-yl]butyl]-4-(2-pyridinyl)pyridinium chloride

【CA登记号】

【分子式】C₂₃H₂₁Cl₂N₃O₂

【分子量】442.34416

【元素组成】C 62.45% H 4.79% Cl 16.03% N 9.5% O 7.23%

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：(VII)

In an alternative procedure, the chlorobutyl derivative (IV) was condensed with 2,4'-dipyridine (VI) by means of NaI in boiling acetone, yielding pyridinium salt (VII). Subsequent reduction of (VII) with NaBH4 in EtOH then provided the title tetrahydropyridine.

参考文献中间体

合成目标

【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
(IV)	36309	3-chloro-4-(4-chlorobutyl)-1,4-benzoxazepin-5(4H)-one		C₁₃H₁₃Cl₂NO₂	详情	详情
(VI)	36311	2,4'-Dipyridyl	581-47-5	C₁₀H₈N₂	详情	详情
(VII)	36312	1-[4-[3-chloro-5-oxo-1,4-benzoxazepin-4(5H)-yl]butyl]-4-(2-pyridinyl)pyridinium chloride		C₂₃H₂₁Cl₂N₃O₂	详情	详情

Extended Information