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【结 构 式】 
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【药物名称】 【化学名称】(E)-1-[3,5-Bis(dimethylaminomethyl)-4-hydroxyphenyl]-3-(3,4-dichlorophenyl)-2-propen-1-one dihydrochloride 【CA登记号】 【 分 子 式 】C21H26Cl4N2O2 【 分 子 量 】480.26557 |
【开发单位】National Institutes of Health (Originator), Rega Institute for Medical Research (Originator), University of Alberta (Originator), Wayne State University (Originator) 【药理作用】ONCOLYTIC DRUGS, MISCELLANEOUS ANTINEOPLASTIC AGENTS |
合成路线1
Aldol condensation between 3,4-dichlorobenzaldehyde (I) and 4'-hydroxyacetophenone (II) in hydroalcoholic NaOH yielded chalcone (III). Then, Mannich reaction of (III) with N,N-dimethylmethyleneammonium chloride (IV) in refluxing acetonitrile provided the bis(dimethylamino) compound as the dihydrochloride.
| 【1】 Dimmock, J.R.; et al.; Cytotoxic activities of Mannich bases of chalcones and related compounds. J Med Chem 1998, 41, 7, 1014-1026. |
| 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) | 18122 | 3,4-Dichlorobenzaldehyde | 6287-38-3 | C7H4Cl2O | 详情 | 详情 |
| (II) | 18123 | 1-(4-hydroxyphenyl)-1-ethanone; 4'-Hydroxyacetophenone | 99-93-4 | C8H8O2 | 详情 | 详情 |
| (III) | 18124 | (E)-3-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)-2-propen-1-one | C15H10Cl2O2 | 详情 | 详情 | |
| (IV) | 18125 | dimethyl(methylene)-lambda(5)-azane | C3H9N | 详情 | 详情 |
Extended Information