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【结 构 式】 
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【分子编号】43659 【品名】4-chloro-3-cyano-2,6-dimethyl-1-pyridiniumolate 【CA登记号】 |
【 分 子 式 】C8H7ClN2O 【 分 子 量 】182.60916 【元素组成】C 52.62% H 3.86% Cl 19.41% N 15.34% O 8.76% |
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)The cyclization of ethyl acetoacetate (I) with 3-amino-2-butenenitrile (II) gives 4-hydroxy-2,6-dimethylpyridine-3-carbonitrile (III), which is treated with SOCl2 and oxidized with MCPBA to yield 4-chloro-2,6-dimethylpyridine-3-carbonitrile N-oxide (IV). Finally, this compound is condensed with thiomorpholine (V) to afford the target compound.
| 【1】 Greve, W.; Schindler, U.; Elben, U.; Rudolphi, K. (Aventis Pharma AG); Substd. pyridin-1-oxides, process for their preparation, medicines containing them and their use. DE 3514073 . |
| 【2】 Nemcova, D.; Janata, V.; 4-Hydroxy-2,6-dimethylnicotinic acid esters. CS 147252 . |
| 【3】 Elben, U.; SUBSTITUTED DIALKYLPYRIDINES AND THEIR N-OXIDES WITH AN ELECTRON-WITHDRAWING SUBSTITUENT. Drugs Fut 1989, 14, 10, 981. |
| 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) | 11819 | ethyl acetoacetate; ethyl 3-oxobutanoate；Acetoacetic ester;Ethyl beta-ketobutyrate;ethyl 3-oxobutyrate | 141-97-9 | C6H10O3 | 详情 | 详情 |
| (II) | 28381 | (E)-3-amino-2-butenenitrile | 1118-61-2 | C4H6N2 | 详情 | 详情 |
| (III) | 43658 | 4-hydroxy-2,6-dimethylnicotinonitrile | C8H8N2O | 详情 | 详情 | |
| (IV) | 43659 | 4-chloro-3-cyano-2,6-dimethyl-1-pyridiniumolate | C8H7ClN2O | 详情 | 详情 | |
| (V) | 36317 | thiomorpholine | 123-90-0 | C4H9NS | 详情 | 详情 |
Extended Information