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【结 构 式】

【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