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【结 构 式】 
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【分子编号】29786 【品名】2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetic acid 【CA登记号】 |
【 分 子 式 】C6H7NO3S 【 分 子 量 】173.19252 【元素组成】C 41.61% H 4.07% N 8.09% O 27.71% S 18.51% |
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)Reaction of tert-butyl cyanoacetate (I) with ethyl mercaptoacetate (II) in the presence of potassium carbonate, followed by N-methylation and ester cleavage affords the intermediate carboxylic acid (III). This compound, by POCl3 in dimethylformamide or by Br2/TPP, is converted to the corresponding acid halogenide (IV), which is finally condensed with 2-chloro-6-methylaniline (V).
| 【1】 Bartoszyk, G.; Hartenstein, J.; Herrmann, M.; Fritschi, E.; Satzinger, G. (Godecke AG); 4-Oxothiazolidin-2-ylideneacetamide derivatives as CNS agents. DE 3317000; EP 0124911; US 4563471 . |
| 【2】 Satzinger, G.; Ralitoline. Drugs Fut 1985, 10, 11, 920. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IVa) | 29787 | 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetyl chloride | C6H6ClNO2S | 详情 | 详情 | |
| (IVb) | 29788 | 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetyl bromide | C6H6BrNO2S | 详情 | 详情 | |
| (I) | 14330 | tert-Butyl cyanoacetate; tert-butyl 2-cyanoacetate | 1116-98-9 | C7H11NO2 | 详情 | 详情 |
| (II) | 23995 | ethyl 2-sulfanylacetate | 2713-34-0 | C4H8O2S | 详情 | 详情 |
| (III) | 29786 | 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetic acid | C6H7NO3S | 详情 | 详情 | |
| (V) | 29789 | 2-chloro-6-methylphenylamine; 2-chloro-6-methylaniline | 87-63-8 | C7H8ClN | 详情 | 详情 |
Extended Information