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【结 构 式】 
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【分子编号】53895 【品名】2-(Bromomethyl)acrylic acid; alpha-(Bromomethyl)acrylic acid 【CA登记号】72707-66-5 |
【 分 子 式 】C4H5BrO2 【 分 子 量 】164.9865 【元素组成】C 29.12% H 3.05% Br 48.43% O 19.39% |
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)Condensation of the lithium salt of indole derivative (I) with bromomethyl acrylic acid (II) in THF affords butyric acid derivative (III), which is then subjected to saponification with KOH in a refluxing mixture of MeOH /H2O to provide diacid compound (IV). Treatment of (IV) with 2-methylindole (V) at 160 C yields derivative (VI), which is finally converted into the desired product by first reaction with phosphoric acid and trifluoroacetic anhydride in acetonitrile, followed by hydrochloride dihydrate salt formation by treatment with HCl.
| 【1】 Caldero Ges, J.M.; Huguet Clotet, J. (Vita-Invest, SA); Process for the preparation of 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one. ES 2043535 . |
| 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) | 53894 | ethyl 1,2-dimethyl-1H-indole-3-carboxylate | n/a | C13H15NO2 | 详情 | 详情 |
| (II) | 53895 | 2-(Bromomethyl)acrylic acid; alpha-(Bromomethyl)acrylic acid | 72707-66-5 | C4H5BrO2 | 详情 | 详情 |
| (III) | 53896 | 2-{2-[3-(ethoxycarbonyl)-1-methyl-1H-indol-2-yl]ethyl}acrylic acid | n/a | C17H19NO4 | 详情 | 详情 |
| (IV) | 53897 | 2-(3-carboxy-3-butenyl)-1-methyl-1H-indole-3-carboxylic acid | n/a | C15H15NO4 | 详情 | 详情 |
| (V) | 15670 | 2-Methylimidazole; 2-Methyl-1H-imidazole | 693-98-1 | C4H6N2 | 详情 | 详情 |
| (VI) | 53898 | 2-[(2-methyl-1H-imidazol-1-yl)methyl]-4-(1-methyl-1H-indol-2-yl)butanoic acid | n/a | C18H21N3O2 | 详情 | 详情 |
Extended Information