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【结 构 式】 
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【分子编号】10885 【品名】1-(tert-Butyl)-4-(chloromethyl)benzene; 1-Chloromethyl-4-tert-butyl benzene; 4-tert-Butylbenzyl chloride 【CA登记号】19692-45-6 |
【 分 子 式 】C11H15Cl 【 分 子 量 】182.6928 【元素组成】C 72.32% H 8.28% Cl 19.41% |
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：(I)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