【结 构 式】 |
【分子编号】57789 【品名】ethyl 6-[5-methyl-2-(methylamino)phenoxy]hexanoate 【CA登记号】 |
【 分 子 式 】C16H25NO3 【 分 子 量 】279.37944 【元素组成】C 68.79% H 9.02% N 5.01% O 17.18% |
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:(I)Acylation of the anilino ester (I) with 4-nitrobenzoyl chloride (II) affords amide (III). After reduction of the 4-nitrobenzamide (III) by catalytic hydrogenation, the resultant amine (IV) is condensed with (2-ethyl-1-imidazolyl)benzoyl chloride (V) to furnish diamide (VI). Subsequent ester group saponification in (VI) gives acid (VII). This is finally coupled with N-methylpiperazine (VIII) in the presence of EDC and HOBt to produce the title compound.
【1】 Kakefuda, A.; Kusayama, T.; Tahara, A.; Tsukamoto, S.-I.; Tsukada, J.; N-Methylbenzanilide derivatives as a novel class of selective V1A receptor antagonists. Bioorg Med Chem Lett 2002, 12, 2, 229. |
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) | 57789 | ethyl 6-[5-methyl-2-(methylamino)phenoxy]hexanoate | C16H25NO3 | 详情 | 详情 | |
(II) | 18941 | p-nitrobenzoyl chloride; 4-nitrobenzoyl chloride | 122-04-3 | C7H4ClNO3 | 详情 | 详情 |
(III) | 57790 | ethyl 6-{5-methyl-2-[methyl(4-nitrobenzoyl)amino]phenoxy}hexanoate | C23H28N2O6 | 详情 | 详情 | |
(IV) | 57791 | ethyl 6-{2-[(4-aminobenzoyl)(methyl)amino]-5-methylphenoxy}hexanoate | C23H30N2O4 | 详情 | 详情 | |
(V) | 57792 | 2-(2-ethyl-1H-imidazol-1-yl)benzoyl chloride | C12H11ClN2O | 详情 | 详情 | |
(VI) | 57793 | ethyl 6-{2-[(4-{[2-(2-ethyl-1H-imidazol-1-yl)benzoyl]amino}benzoyl)(methyl)amino]-5-methylphenoxy}hexanoate | C35H40N4O5 | 详情 | 详情 | |
(VII) | 57794 | 6-{2-[(4-{[2-(2-ethyl-1H-imidazol-1-yl)benzoyl]amino}benzoyl)(methyl)amino]-5-methylphenoxy}hexanoic acid | C33H36N4O5 | 详情 | 详情 | |
(VIII) | 10061 | 1-Methylpiperazine; 1-Methyl piperazine; N-Methylpiperazine | 109-01-3 | C5H12N2 | 详情 | 详情 |
Extended Information