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【结 构 式】

【分子编号】51918

【品名】 

【CA登记号】

【 分 子 式 】C10H10Li2O2

【 分 子 量 】176.0702

【元素组成】C 68.22% H 5.72% Li 7.88% O 18.17%

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:(II)

The reaction of 2-phenylbutyric acid (I) with LDA gives the enolate (II), which is condensed with ethyl 4-iodobenzoate (III) to yield the not isolated intermediate (IV), which decarboxylates to afford 1-(4-iodophenyl)-2-phenyl-1-butanone (V). The Grignard reaction of the ketone (V) with 4-[2-(1-pyrroliidnyl)ethyl]phenylmagnesium bromide (VI) (obtained from the corresponding bromobenzene (VII) and Mg in THF) affords the tertiary alcohol (VIII), which is esterified with pivaloyl chloride (IX) and KHMDS to provide the pivalate (X). Finally, this compound is treated with hexamethyldisylazane at 165 C to provide the target ethylene.

1 Ace, K.W.; et al.; Development of an efficient and stereoselective manufacturing route to idoxifene. Org Process Res Dev 2001, 5, 5, 479.
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) 21130 2-Phenylbutyric acid; alpha-Ethylbenzeneacetic acid 90-27-7 C10H12O2 详情 详情
(II) 51918   C10H10Li2O2 详情 详情
(III) 23796 ethyl 4-iodobenzoate 51934-41-9 C9H9IO2 详情 详情
(IV) 51919 lithium 2-(4-iodobenzoyl)-2-phenylbutanoate C17H14ILiO3 详情 详情
(V) 51920 1-(4-iodophenyl)-2-phenyl-1-butanone C16H15IO 详情 详情
(VI) 51921 bromo[4-[2-(1-pyrrolidinyl)ethyl]phenyl]magnesium C12H16BrMgN 详情 详情
(VII) 51922 1-(4-bromophenethyl)pyrrolidine C12H16BrN 详情 详情
(VIII) 51923 (1R,2R)-1-(4-iodophenyl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]-1-butanol C28H32INO 详情 详情
(IX) 13597 2,2-Dimethylpropanoyl chloride; Pivaloyl chloride 3282-30-2 C5H9ClO 详情 详情
(X) 51924 1-(tert-butyl)vinyl (1R,2R)-1-(4-iodophenyl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]butyl ether; 1-[4-[(1R,2R)-1-[[1-(tert-butyl)vinyl]oxy]-1-(4-iodophenyl)-2-phenylbutyl]phenethyl]pyrrolidine C34H42INO 详情 详情
Extended Information