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【结 构 式】 
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【分子编号】53304 【品名】4-(dimethylamino)-2-butynal 【CA登记号】n/a |
【 分 子 式 】C6H9NO 【 分 子 量 】111.1436 【元素组成】C 64.84% H 8.16% N 12.6% O 14.4% |
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：(XL)In a further method, the acetylide resulting from N,N-dimethyl propargylamine (XXXVIII) and either BuLi or ethylmagnesium chloride was formylated by means of N-methyl formanilide (XXXIX), producing the unstable acetylenic aldehyde (XL), which was immediately subjected to dipolar cycloaddition with sodium azide to furnish 4-(dimethylaminomethyl)-5-formyl-1,2,3-triazole (XLI). The title compound was then obtained by reductive condensation of morpholine (XVIII) with aldehyde (XLI) in the presence of sodium triacetoxyborohydride.
| 【1】 Wang, J.; Crocker, L.; Cai, D. (Merck & Co., Inc.); Polymorphic form of a tachykinin receptor antagonist. WO 0132656 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XVIII) | 18293 | (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl (2R,3S)-3-(4-fluorophenyl)morpholinyl ether; (2R,3S)-2-([(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]oxy)-3-(4-fluorophenyl)morpholine | 171482-05-6 | C20H18F7NO2 | 详情 | 详情 |
| (XXXVIII) | 53305 | 1-Dimethylamino-2-propyne; N,N-Dimethylpropargylamine | 7223-38-3 | C5H9N | 详情 | 详情 |
| (XXXIX) | 20360 | methyl(phenyl)formamide;N-Methylformanilide;N-Formyl-N-methylaniline;Methylphenylformamide;N-methyl-N-phenylformamide;N-Methyl-N-formylaniline;N-Formyl-N-methylaniline | 93-61-8 | C8H9NO | 详情 | 详情 |
| (XL) | 53304 | 4-(dimethylamino)-2-butynal | n/a | C6H9NO | 详情 | 详情 |
| (XLI) | 53306 | 5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbaldehyde | n/a | C6H10N4O | 详情 | 详情 |
Extended Information