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【结 构 式】 
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【分子编号】41982 【品名】2-phenyl-2-[[2-(1H-pyrrol-1-yl)-3-pyridinyl]oxy]acetic acid 【CA登记号】 |
【 分 子 式 】C17H14N2O3 【 分 子 量 】294.30984 【元素组成】C 69.38% H 4.79% N 9.52% O 16.31% |
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)1-(3-Hydroxy-2-pyridyl)pyrrole (III) was prepared by Paal-Knorr condensation of 2-amino-3-hydroxypyridine (I) with 2,5-dimethoxytetrahydrofuran (II). The O-alkylation of (II) with ethyl alpha-bromophenylacetate (IV) in the presence of NaH in THF furnished ether (V). Subsequent saponification of the ethyl ester group of (IV) gave rise to carboxylic acid (VI), that was cyclized to tricyclic ketone (VII) upon treatment with phosphorus pentachloride. Finally, alkylation of the corresponding potassium enolate of (VII) with ethyl iodide yielded the title compound.
| 【1】 Morelli, E.; Campiani, G.; Fabbrini, M.; et al.; Pyrrolobenzoxazepinone derivatives as non-nucleoside HIV-1 RT inhibitors: Further structure-activity relationship studies and identification of more potent broad-spectrum HIV-1 RT inhibitors with antiviral activirty. J Med Chem 1999, 42, 21, 4462. |
| 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) | 37086 | 2-amino-3-pyridinol; 2-Amino-3-hydroxypyridine | 16867-03-1 | C5H6N2O | 详情 | 详情 |
| (II) | 12132 | 2,5-Dimethoxytetrahydrofuran; 5-Methoxytetrahydro-2-furanyl methyl ether | 696-59-3 | C6H12O3 | 详情 | 详情 |
| (III) | 41979 | 2-(1H-pyrrol-1-yl)-3-pyridinol | C9H8N2O | 详情 | 详情 | |
| (IV) | 41980 | ethyl 2-bromo-2-phenylacetate | 2882-19-1 | C10H11BrO2 | 详情 | 详情 |
| (V) | 41981 | ethyl 2-phenyl-2-[[2-(1H-pyrrol-1-yl)-3-pyridinyl]oxy]acetate | C19H18N2O3 | 详情 | 详情 | |
| (VI) | 41982 | 2-phenyl-2-[[2-(1H-pyrrol-1-yl)-3-pyridinyl]oxy]acetic acid | C17H14N2O3 | 详情 | 详情 | |
| (VII) | 41983 | 6-phenylpyrido[3,2-b]pyrrolo[1,2-d][1,4]oxazepin-7(6H)-one | C17H12N2O2 | 详情 | 详情 |
Extended Information