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【结 构 式】 
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【分子编号】39986 【品名】2-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-7-nitro-1-indanone 【CA登记号】 |
【 分 子 式 】C20H19NO6 【 分 子 量 】369.374 【元素组成】C 65.03% H 5.18% N 3.79% O 25.99% |
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：(IV)5,6-Dimethoxy-1-indanone (I) was selectively nitrated at position 7 by means of NaNO2 in trifluoroacetic acid. Acid-catalyzed aldol condensation of the resulting nitroindanone (II) with 3,5-dimethyl-4-hydroxybenzaldehyde (III) afforded the E-unsaturated ketone (IV). Finally, reduction of the nitro group of (IV) with either sodium dithionite or zinc dust and AcOH yielded the corresponding amino derivative.
| 【1】 Shih, H.; Carson, D.A.; Deng, L.; Carrer, C.J.; Cottam, H.B.; Adachi, C.J.; Rational design, synthesis and structure-activity relationships of antitumor (E)-2-benzylidene-1-tetralones and (E)-2-benzylidene-1-indanones. Bioorg Med Chem Lett 2000, 10, 5, 487. |
| 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) | 13430 | 5,6-Dimethoxy-1-indanone; 2,3-Dihydro-5,6-dimethoxy-1H-inden-1-one | 2107-69-9 | C11H12O3 | 详情 | 详情 |
| (II) | 39984 | 5,6-dimethoxy-7-nitro-1-indanone | C11H11NO5 | 详情 | 详情 | |
| (III) | 39985 | 4-hydroxy-3,5-dimethylbenzaldehyde；3,5-Dimethyl-4-hydroxybenzaldehyde | 2233-18-3 | C9H10O2 | 详情 | 详情 |
| (IV) | 39986 | 2-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-7-nitro-1-indanone | C20H19NO6 | 详情 | 详情 |
Extended Information