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【结 构 式】

【分子编号】10886

【品名】[4-(tert-Butyl)benzyl](chloro)magnesium

【CA登记号】

【 分 子 式 】C11H15ClMg

【 分 子 量 】206.9978

【元素组成】C 63.83% H 7.3% Cl 17.13% Mg 11.74%

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 4-tert-butylbenzyl chloride (I) with Mg in ether gives the corresponding Grignard reagent (II), which is condensed with epichlorohydrin (III) yielding 4-(4-tert-butylphenyl)-1,2-epoxybutane (IV). The condensation of (IV) with methyl 4-hydroxybenzoate (V) by means of KOH in refluxing methanol affords 4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid methyl ester (VI), which is finally saponified with KOH in refluxing ethanol/water.

1 Rabasseda, X.; Castaner, J.; Mealy, N.; Lifibrol. Drugs Fut 1995, 20, 4, 325.
2 Grill, H.; Reiter, F.; Loser, R.; Schliack, M.; Seibel, K. (Klinge Pharma GmbH); p-Oxybenzoic acid derivs., as well as process for their preparation and their use as medicines. DE 3326164; EP 0133935; US 4582857 .
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) 10885 1-(tert-Butyl)-4-(chloromethyl)benzene; 1-Chloromethyl-4-tert-butyl benzene; 4-tert-Butylbenzyl chloride 19692-45-6 C11H15Cl 详情 详情
(II) 10886 [4-(tert-Butyl)benzyl](chloro)magnesium C11H15ClMg 详情 详情
(III) 10146 Epichlorohydrin; 2-(Chloromethyl)oxirane 106-89-8 C3H5ClO 详情 详情
(IV) 10888 2-[4-(tert-Butyl)phenethyl]oxirane C14H20O 详情 详情
(V) 10251 methyl 4-hydroxybenzoate; Methyl p-hydroxybenzoate 99-76-3 C8H8O3 详情 详情
(VI) 10890 methyl 4-[4-[4-(tert-butyl)phenyl]-2-hydroxybutoxy]benzoate C22H28O4 详情 详情
Extended Information