5-chloro-1-phenyl-2-pentanone -Drug Synthesis Database

【结构式】

【分子编号】64973

【品名】5-chloro-1-phenyl-2-pentanone

【CA登记号】

【分子式】C₁₁H₁₃ClO

【分子量】196.67632

【元素组成】C 67.18% H 6.66% Cl 18.03% O 8.13%

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)

Addition of benzylmagnesium bromide to 4-chlorobutyronitrile (II) gives rise to the chloro ketone adduct (III). Subsequent chloride displacement with ethylenediamine (IV) furnishes the target diamino ketone.

参考文献中间体

合成目标

【1】 Andreadou, I.; Rekka, E.A.; Demopoulos, V.J.; Bijloo, G.J.; Kourounakis, P.N.; Synthesis, antioxidant and anti-inflammatory activity of novel substituted ethylenediamines and ethanolamines. A preliminary quantitative structure-activity relationship study. Arzneim-Forsch Drug Res 1997, 47, 5, 643.

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)	28308	benzyl(bromo)magnesium; benzylmagnesium bromide	1589-82-8	C₇H₇BrMg	详情	详情
(II)	11179	4-Chlorobutanenitrile; 4-Chlorobutyronitrile	628-20-6	C₄H₆ClN	详情	详情
(III)	64973	5-chloro-1-phenyl-2-pentanone		C₁₁H₁₃ClO	详情	详情
(IV)	14754	ethylenediamine;1,2-Diaminoethane;ethane-1,2-diamine；1,2-Ethanediamine	107-15-3	C₂H₈N₂	详情	详情

Extended Information