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【结 构 式】 
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【分子编号】20899 【品名】N-(2-ethoxyethyl)-N-(2-nitrophenyl)amine; N-(2-ethoxyethyl)-2-nitroaniline 【CA登记号】 |
【 分 子 式 】C10H14N2O3 【 分 子 量 】210.23284 【元素组成】C 57.13% H 6.71% N 13.32% O 22.83% |
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)A new synthesis of KB-2413 has been described: The reaction of 2-chloronitrobenzene (I) with 2-ethoxyethylamine (II) gives 1-(2-ethoxyethylamino)-2-nitrobenzene (III), which is reduced with Zn and NaOH to N-(2-ethoxyethyl-o-phenylenediamine (IV). The cyclization of (IV) with urea in amyl alcohol affords 1-(2-ethoxyethyl)benzimidazol-2-one (V), which is treated with refluxing POCl3 yielding 2-chloro-1-(2-ethoxyethyl)benzimidazole (VI). Finally, this compound is condensed with N-methylhexahydro-1,4-diazepine (VII) and treated with fumaric acid.
| 【1】 Awata, N.; Satomi, O.; Synthesis of 1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)-[2-14C]benzimidazole difumarate ([14C]KB-2413). J Label Compd Radiopharm 1987, 24, 3, 331-8. |
| 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) | 15248 | 1-chloro-2-nitrobenzene | 88-73-3 | C6H4ClNO2 | 详情 | 详情 |
| (II) | 20898 | 2-ethoxyethylamine; 2-ethoxy-1-ethanamine | 110-76-9 | C4H11NO | 详情 | 详情 |
| (III) | 20899 | N-(2-ethoxyethyl)-N-(2-nitrophenyl)amine; N-(2-ethoxyethyl)-2-nitroaniline | C10H14N2O3 | 详情 | 详情 | |
| (IV) | 20900 | N(1)-(2-ethoxyethyl)-1,2-benzenediamine; N-(2-aminophenyl)-N-(2-ethoxyethyl)amine | C10H16N2O | 详情 | 详情 | |
| (V) | 20901 | 1-(2-ethoxyethyl)-1,3-dihydro-2H-benzimidazol-2-one | C11H14N2O2 | 详情 | 详情 | |
| (VI) | 20902 | 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazole; 2-(2-chloro-1H-benzimidazol-1-yl)ethyl ethyl ether | C11H13ClN2O | 详情 | 详情 | |
| (VII) | 20903 | 1-methyl-1,4-diazepane | 4318-37-0 | C6H14N2 | 详情 | 详情 |
Extended Information