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【结 构 式】 
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【分子编号】26541 【品名】N-(3-chloro-5-cyanophenyl)-N'-(1,1-diethylpropyl)carbodiimide 【CA登记号】 |
【 分 子 式 】C15H18ClN3 【 分 子 量 】275.78084 【元素组成】C 65.33% H 6.58% Cl 12.86% N 15.24% |
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：(VII)Treatment of 3-chloro-5-cyanoaniline (I) with thiophosgene afforded the corresponding aryl isothiocyanate (II). Ritter reaction of 3-ethyl-3-pentanol (III) using NaCN and H2SO4 produced formamide (IV), which was hydrolyzed to amine (V) with NaOH. Then, condensation of isothiocyanate (II) with amine (V) yielded thiourea (VI). Subsequent removal of H2S in (VI) by treatment with PPh3, CCl4 and Et3N gave carbodiimide (VII). Finally, addition of cyanamide to (VII) in the presence of i-Pr2NEt furnished the required cyanoguanidine.
| 【1】 Yoshiizumi, K.; Seko, N.; Nishimura, N.; Ikeda, S.; Yoshino, K.; Kondo, H.; Tanizawa, K.; Biologically selective potassium channel openers having 1,1-diethylpropyl group. Bioorg Med Chem Lett 1998, 8, 23, 3397. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 19648 | Cyanamide | 420-04-2 | CH2N2 | 详情 | 详情 | |
| (I) | 26535 | 3-amino-5-chlorobenzonitrile | C7H5ClN2 | 详情 | 详情 | |
| (II) | 26536 | 3-chloro-5-isothiocyanatobenzonitrile | C8H3ClN2S | 详情 | 详情 | |
| (III) | 26537 | 3-ethyl-3-pentanol | 597-49-9 | C7H16O | 详情 | 详情 |
| (IV) | 26538 | 1,1-diethylpropylformamide | C8H17NO | 详情 | 详情 | |
| (V) | 26539 | 1,1-diethylpropylamine | C7H17N | 详情 | 详情 | |
| (VI) | 26540 | N-(3-chloro-5-cyanophenyl)-N'-(1,1-diethylpropyl)thiourea | C15H20ClN3S | 详情 | 详情 | |
| (VII) | 26541 | N-(3-chloro-5-cyanophenyl)-N'-(1,1-diethylpropyl)carbodiimide | C15H18ClN3 | 详情 | 详情 |
Extended Information