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【结 构 式】 
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【分子编号】18872 【品名】3-propionyl-1,3-benzothiazol-2(3H)-one 【CA登记号】 |
【 分 子 式 】C10H9NO2S 【 分 子 量 】207.253 【元素组成】C 57.95% H 4.38% N 6.76% O 15.44% S 15.47% |
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：(II)Reaction of benzothiazolone (I) with propionyl chloride in the presence of triethylamine in refluxing THF provided the N-propionyl derivative (II), which was subsequently rearranged by heating at 165 C with AlCl3 to give ketone (III). Alkylation of (III) with 1-(2-chloroethyl)piperidine and K2CO3 in hot DMF yielded (IV), which was finally reduced with triethylsilane in trifluoroacetic acid to the propyl derivative.
| 【1】 Ucar, H.; et al.; Synthesis and anticonvulsant activity of 2(3H)-benzoxazolone and 2(3H)-benzothiazolone derivatives. J Med Chem 1998, 41, 7, 1138. |
| 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) | 18871 | 1,3-benzothiazol-2(3H)-one | 934-34-9 | C7H5NOS | 详情 | 详情 |
| (II) | 18872 | 3-propionyl-1,3-benzothiazol-2(3H)-one | C10H9NO2S | 详情 | 详情 | |
| (III) | 18873 | 6-propionyl-1,3-benzothiazol-2(3H)-one | C10H9NO2S | 详情 | 详情 | |
| (IV) | 10117 | 1-(2-Chloroethyl)piperidine; N-(2-Chloroethyl)piperidine | 1932-03-2 | C7H14ClN | 详情 | 详情 |
| (V) | 18875 | 3-[2-(1-piperidinyl)ethyl]-6-propionyl-1,3-benzothiazol-2(3H)-one | C17H22N2O2S | 详情 | 详情 |
Extended Information