(E)-1-(1H-imidazol-1-yl)-1-octen-3-one -Drug Synthesis Database

【结构式】

【分子编号】36232

【品名】(E)-1-(1H-imidazol-1-yl)-1-octen-3-one

【CA登记号】

【分子式】C₁₁H₁₆N₂O

【分子量】192.26092

【元素组成】C 68.72% H 8.39% N 14.57% O 8.32%

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 Oxidation of 1-octyn-3-ol (I) with chromium trioxide gives the 3-oxooctyne (II), which by reaction with imidazole (III) yields (E)-1-(3-oxoocten-1-yl)imidazole (IV). Reduction of this compound with sodium borohydride gives (E)-1,3-hydroxyocten-1-yl)imidazole (V) . Finally, the latter is etherified with benzyl chloride (VI).

参考文献中间体

合成目标

【1】 Pailer, N.; Gutwiller, H.; Mh Chem 1977, 108, Suppl. 1, 653.
【2】 Bonne, C.; Coquelet, C.; Sincholle, D. (Chauvin Laboratories SA); Therapeutic compsn. based on imidazoles, especially for the treatment of thromboses; imidazoles and process for their preparation. EP 0033432 .
【3】 Blancafort, P.; Serradell, M.N.; Castaner, J.; CBS-645. Drugs Fut 1983, 8, 10, 843.

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)	36230	1-Octyn-3-ol	818-72-4	C₈H₁₄O	详情	详情
(II)	36231	1-octyn-3-one		C₈H₁₂O	详情	详情
(III)	10255	Imidazole; 1H-Imidazole	288-32-4	C₃H₄N₂	详情	详情
(IV)	36232	(E)-1-(1H-imidazol-1-yl)-1-octen-3-one		C₁₁H₁₆N₂O	详情	详情
(V)	36233	(E)-1-(1H-imidazol-1-yl)-1-octen-3-ol		C₁₁H₁₈N₂O	详情	详情
(VI)	19171	1-(Chloromethyl)benzene; Benzyl chloride	100-44-7	C₇H₇Cl	详情	详情

Extended Information