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【结 构 式】 
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【分子编号】44587 【品名】(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one 【CA登记号】 |
【 分 子 式 】C14H16O3 【 分 子 量 】232.27924 【元素组成】C 72.39% H 6.94% O 20.66% |
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：(VI)The synthesis of [14]-labeled stiripentol has been published: The reaction of 3,4-methylenedioxybromobenzene (I) with 14CO2 by means of butyllithium in ether gives 3,4-methylenedioxybenzoic acid (II), which is reduced with LiAlH4 to the corresponding benzyl alcohol (III). Oxidation of (III) with CrO3-pyridine affords the aldehyde (IV), which is condensed with methyl tert-butyl ketone (V) by means of NaOH in refluxing ethanol to give the labeled pentanone (VI). Finally, this compound is reduced to [14C]-labeled stiripentol with NaBH4 in methanol.
| 【1】 Lepage, F. Veyre, A.; Madelmont, J.C.; Labarre, P.; Maurizis, J.C.; Rapp, M.; Dupuy, J.M.; Labelling by 14C and 3H of 4,4-dimethyl-1-(3,4-methylenedioxyphenyl)-1-pentene-3-ol or stiripentol. J Label Compd Radiopharm 1992, 31, 11, 961. |
| 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) | 10124 | 5-Bromo-1,3-benzodioxole; 4-Bromo-1,2-(methylenedioxy)benzene | 2635-13-4 | C7H5BrO2 | 详情 | 详情 |
| (II) | 10125 | 1,3-Benzodioxole-5-carboxylic acid | 94-53-1 | C8H6O4 | 详情 | 详情 |
| (II) | 44584 | 1,3-benzodioxole-5-carboxylic acid | C8H6O4 | 详情 | 详情 | |
| (III) | 10126 | 1,3-Benzodioxol-5-ylmethanol; Helioalcohol | 495-76-1 | C8H8O3 | 详情 | 详情 |
| (III) | 44585 | 1,3-benzodioxol-5-ylmethanol | C8H8O3 | 详情 | 详情 | |
| (IV) | 10127 | 1,3-Benzodioxole-5-carbaldehyde; Heliotropine | 120-57-0 | C8H6O3 | 详情 | 详情 |
| (IV) | 44586 | 1,3-benzodioxole-5-carbaldehyde | C8H6O3 | 详情 | 详情 | |
| (V) | 10128 | 3,3-Dimethyl-2-butanone; Pinacolin | 75-97-8 | C6H12O | 详情 | 详情 |
| (VI) | 10129 | (E)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one | C14H16O3 | 详情 | 详情 | |
| (VI) | 44587 | (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one | C14H16O3 | 详情 | 详情 |
Extended Information