1-(4-chloro-2-butynyl)azepane -Drug Synthesis Database

【结构式】

【分子编号】51110

【品名】1-(4-chloro-2-butynyl)azepane

【CA登记号】

【分子式】C₁₀H₁₆ClN

【分子量】185.69648

【元素组成】C 64.68% H 8.68% Cl 19.09% N 7.54%

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：(IV)

The cuprous chloride-catalyzed Mannich reaction between propargyl alcohol (I), hexahydroazepine (II) and formaldehyde furnished aminobutynol (III), which was further converted to the corresponding chloride (IV) upon treatment with SOCl2. The title compound was then synthesized by alkylation of the anion of 9-benzylfluorene (V) with chloride (IV) in DMSO.

参考文献中间体

合成目标

【1】 Roxburgh, C.J.; et al.; Synthesis and structure-activity relationships of cetiedil analogues as blockers of the Ca2+-activated K+ permeability of erythrocytes. J Med Chem 2001, 44, 20, 3244.

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)	16664	Propargyl Alcohol; 2-propyn-1-ol	107-19-7	C₃H₄O	详情	详情
(II)	18672	azepane	111-49-9	C₆H₁₃N	详情	详情
(III)	51109	4-(1-azepanyl)-2-butyn-1-ol		C₁₀H₁₇NO	详情	详情
(IV)	51110	1-(4-chloro-2-butynyl)azepane		C₁₀H₁₆ClN	详情	详情
(V)	51111	9-Benzylfluorene	1572-46-9	C₂₀H₁₆	详情	详情

Extended Information