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【结 构 式】 
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【分子编号】38279 【品名】N-[3-[(tert-butylamino)methyl]-4-hydroxy-5-isopropylphenyl]acetamide 【CA登记号】 |
【 分 子 式 】C16H26N2O2 【 分 子 量 】278.39472 【元素组成】C 69.03% H 9.41% N 10.06% O 11.49% |
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：(III)The reaction of 2-isopropylphenol (I) first with NaNO2/AcOH, then with Na2S2O4 and finally with acetic anhydride gives the acetamide (II), which is treated with formaldehyde and tert-butylamine in ethanol yielding the tert-butylaminomethyl derivative (III). The hydrolysis of (III) with 6M HCl affords the aminophenol (IV), which is finally condensed with 4,7-dichloroquinoline (V) in refluxing ethanol.
| 【1】 Raynes, K.J.; Stocks, P.A.; Ward, S.A.; O'Neill, P.M.; Park, B.K.; New 4-aminoquinoline mannich base antimalarials. 1. Effect of an alkyl substituent in the 5'-position of the 4'-hydroxyanilino side chain. J Med Chem 1999, 42, 15, 2747. |
| 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) | 37653 | 2-isopropylphenol | 88-69-7 | C9H12O | 详情 | 详情 |
| (II) | 38278 | N-(4-hydroxy-3-isopropylphenyl)acetamide | C11H15NO2 | 详情 | 详情 | |
| (III) | 38279 | N-[3-[(tert-butylamino)methyl]-4-hydroxy-5-isopropylphenyl]acetamide | C16H26N2O2 | 详情 | 详情 | |
| (IV) | 38280 | 4-amino-2-[(tert-butylamino)methyl]-6-isopropylphenol | C14H24N2O | 详情 | 详情 | |
| (V) | 38277 | 4,7-dichloroquinoline | 86-98-6 | C9H5Cl2N | 详情 | 详情 |
Extended Information