• English
  • 简体中文
Login Register
Current Location: Home > Feedback Help Print

【结 构 式】

【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